N-[1-[4-[(E)-3-(dimethylamino)prop-2-enyl]piperazin-1-yl]-3-(1H-indazol-5-yl)-1-oxopropan-2-yl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide;N-[1-[4-(2-ethyl-3-methylbutyl)piperazin-1-yl]-3-(1H-indazol-5-yl)-1-oxopropan-2-yl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide;N-[3-(1H-indazol-5-yl)-1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide;N-[3-(1H-indazol-5-yl)-1-oxo-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propan-2-yl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide;N-[3-(1H-indazol-5-yl)-1-oxo-1-[4-(1H-pyrrol-2-ylmethyl)piperazin-1-yl]propan-2-yl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide

C167H208N42O15 — CID 157168705

IUPACN-[1-[4-[(E)-3-(dimethylamino)prop-2-enyl]piperazin-1-yl]-3-(1H-indazol-5-yl)-1-oxopropan-2-yl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide;N-[1-[4-(2-ethyl-3-methylbutyl)piperazin-1-yl]-3-(1H-indazol-5-yl)-1-oxopropan-2-yl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide;N-[3-(1H-indazol-5-yl)-1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide;N-[3-(1H-indazol-5-yl)-1-oxo-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propan-2-yl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide;N-[3-(1H-indazol-5-yl)-1-oxo-1-[4-(1H-pyrrol-2-ylmethyl)piperazin-1-yl]propan-2-yl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide
SMILESCCC(CN1CCN(C(=O)C(Cc2ccc3[nH]ncc3c2)NC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)CC1)C(C)C.CN(C)/C=C/CN1CCN(C(=O)C(Cc2ccc3[nH]ncc3c2)NC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)CC1.CN1CCN(C(=O)C(Cc2ccc3[nH]ncc3c2)NC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)CC1.O=C(NC(Cc1ccc2[nH]ncc2c1)C(=O)N1CCN(C/C=C/c2ccccc2)CC1)N1CCC(N2Cc3ccccc3NC2=O)CC1.O=C(NC(Cc1ccc2[nH]ncc2c1)C(=O)N1CCN(Cc2ccc[nH]2)CC1)N1CCC(N2Cc3ccccc3NC2=O)CC1
InChIInChI=1S/C37H42N8O3.C35H48N8O3.C33H39N9O3.C33H43N9O3.C29H36N8O3/c46-35(43-21-19-42(20-22-43)16-6-9-27-7-2-1-3-8-27)34(24-28-12-13-33-30(23-28)25-38-41-33)40-36(47)44-17-14-31(15-18-44)45-26-29-10-4-5-11-32(29)39-37(45)48;1-4-26(24(2)3)22-40-15-17-41(18-16-40)33(44)32(20-25-9-10-31-28(19-25)21-36-39-31)38-34(45)42-13-11-29(12-14-42)43-23-27-7-5-6-8-30(27)37-35(43)46;43-31(40-16-14-39(15-17-40)22-26-5-3-11-34-26)30(19-23-7-8-29-25(18-23)20-35-38-29)37-32(44)41-12-9-27(10-13-41)42-21-24-4-1-2-6-28(24)36-33(42)45;1-38(2)12-5-13-39-16-18-40(19-17-39)31(43)30(21-24-8-9-29-26(20-24)22-34-37-29)36-32(44)41-14-10-27(11-15-41)42-23-25-6-3-4-7-28(25)35-33(42)45;1-34-12-14-35(15-13-34)27(38)26(17-20-6-7-25-22(16-20)18-30-33-25)32-28(39)36-10-8-23(9-11-36)37-19-21-4-2-3-5-24(21)31-29(37)40/h1-13,23,25,31,34H,14-22,24,26H2,(H,38,41)(H,39,48)(H,40,47);5-10,19,21,24,26,29,32H,4,11-18,20,22-23H2,1-3H3,(H,36,39)(H,37,46)(H,38,45);1-8,11,18,20,27,30,34H,9-10,12-17,19,21-22H2,(H,35,38)(H,36,45)(H,37,44);3-9,12,20,22,27,30H,10-11,13-19,21,23H2,1-2H3,(H,34,37)(H,35,45)(H,36,44);2-7,16,18,23,26H,8-15,17,19H2,1H3,(H,30,33)(H,31,40)(H,32,39)/b9-6+;;;12-5+;
InChIKeyANFCKFFIDDCFSX-RYIYKGFCSA-N
MW3043.78 g/mol
LogP17.83
Rot. Bonds37

About N-[1-[4-[(E)-3-(dimethylamino)prop-2-enyl]piperazin-1-yl]-3-(1H-indazol-5-yl)-1-oxopropan-2-yl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide;N-[1-[4-(2-ethyl-3-methylbutyl)piperazin-1-yl]-3-(1H-indazol-5-yl)-1-oxopropan-2-yl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide;N-[3-(1H-indazol-5-yl)-1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide;N-[3-(1H-indazol-5-yl)-1-oxo-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propan-2-yl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide;N-[3-(1H-indazol-5-yl)-1-oxo-1-[4-(1H-pyrrol-2-ylmethyl)piperazin-1-yl]propan-2-yl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide

N-[1-[4-[(E)-3-(dimethylamino)prop-2-enyl]piperazin-1-yl]-3-(1H-indazol-5-yl)-1-oxopropan-2-yl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide;N-[1-[4-(2-ethyl-3-methylbutyl)piperazin-1-yl]-3-(1H-indazol-5-yl)-1-oxopropan-2-yl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide;N-[3-(1H-indazol-5-yl)-1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide;N-[3-(1H-indazol-5-yl)-1-oxo-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propan-2-yl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide;N-[3-(1H-indazol-5-yl)-1-oxo-1-[4-(1H-pyrrol-2-ylmethyl)piperazin-1-yl]propan-2-yl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide (PubChem CID 157168705) has the molecular formula C167H208N42O15 and a molecular weight of 3043.78 g/mol. Its IUPAC name is N-[1-[4-[(E)-3-(dimethylamino)prop-2-enyl]piperazin-1-yl]-3-(1H-indazol-5-yl)-1-oxopropan-2-yl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide;N-[1-[4-(2-ethyl-3-methylbutyl)piperazin-1-yl]-3-(1H-indazol-5-yl)-1-oxopropan-2-yl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide;N-[3-(1H-indazol-5-yl)-1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide;N-[3-(1H-indazol-5-yl)-1-oxo-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propan-2-yl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide;N-[3-(1H-indazol-5-yl)-1-oxo-1-[4-(1H-pyrrol-2-ylmethyl)piperazin-1-yl]propan-2-yl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[1-[4-[(E)-3-(dimethylamino)prop-2-enyl]piperazin-1-yl]-3-(1H-indazol-5-yl)-1-oxopropan-2-yl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide;N-[1-[4-(2-ethyl-3-methylbutyl)piperazin-1-yl]-3-(1H-indazol-5-yl)-1-oxopropan-2-yl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide;N-[3-(1H-indazol-5-yl)-1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide;N-[3-(1H-indazol-5-yl)-1-oxo-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propan-2-yl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide;N-[3-(1H-indazol-5-yl)-1-oxo-1-[4-(1H-pyrrol-2-ylmethyl)piperazin-1-yl]propan-2-yl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide
PubChem CID157168705
Molecular FormulaC167H208N42O15
Molecular Weight3043.78 g/mol
Exact Mass3041.68
IUPAC NameN-[1-[4-[(E)-3-(dimethylamino)prop-2-enyl]piperazin-1-yl]-3-(1H-indazol-5-yl)-1-oxopropan-2-yl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide;N-[1-[4-(2-ethyl-3-methylbutyl)piperazin-1-yl]-3-(1H-indazol-5-yl)-1-oxopropan-2-yl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide;N-[3-(1H-indazol-5-yl)-1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide;N-[3-(1H-indazol-5-yl)-1-oxo-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propan-2-yl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide;N-[3-(1H-indazol-5-yl)-1-oxo-1-[4-(1H-pyrrol-2-ylmethyl)piperazin-1-yl]propan-2-yl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide
SMILESCCC(CN1CCN(C(=O)C(Cc2ccc3[nH]ncc3c2)NC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)CC1)C(C)C.CN(C)/C=C/CN1CCN(C(=O)C(Cc2ccc3[nH]ncc3c2)NC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)CC1.CN1CCN(C(=O)C(Cc2ccc3[nH]ncc3c2)NC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)CC1.O=C(NC(Cc1ccc2[nH]ncc2c1)C(=O)N1CCN(C/C=C/c2ccccc2)CC1)N1CCC(N2Cc3ccccc3NC2=O)CC1.O=C(NC(Cc1ccc2[nH]ncc2c1)C(=O)N1CCN(Cc2ccc[nH]2)CC1)N1CCC(N2Cc3ccccc3NC2=O)CC1
InChIInChI=1S/C37H42N8O3.C35H48N8O3.C33H39N9O3.C33H43N9O3.C29H36N8O3/c46-35(43-21-19-42(20-22-43)16-6-9-27-7-2-1-3-8-27)34(24-28-12-13-33-30(23-28)25-38-41-33)40-36(47)44-17-14-31(15-18-44)45-26-29-10-4-5-11-32(29)39-37(45)48;1-4-26(24(2)3)22-40-15-17-41(18-16-40)33(44)32(20-25-9-10-31-28(19-25)21-36-39-31)38-34(45)42-13-11-29(12-14-42)43-23-27-7-5-6-8-30(27)37-35(43)46;43-31(40-16-14-39(15-17-40)22-26-5-3-11-34-26)30(19-23-7-8-29-25(18-23)20-35-38-29)37-32(44)41-12-9-27(10-13-41)42-21-24-4-1-2-6-28(24)36-33(42)45;1-38(2)12-5-13-39-16-18-40(19-17-39)31(43)30(21-24-8-9-29-26(20-24)22-34-37-29)36-32(44)41-14-10-27(11-15-41)42-23-25-6-3-4-7-28(25)35-33(42)45;1-34-12-14-35(15-13-34)27(38)26(17-20-6-7-25-22(16-20)18-30-33-25)32-28(39)36-10-8-23(9-11-36)37-19-21-4-2-3-5-24(21)31-29(37)40/h1-13,23,25,31,34H,14-22,24,26H2,(H,38,41)(H,39,48)(H,40,47);5-10,19,21,24,26,29,32H,4,11-18,20,22-23H2,1-3H3,(H,36,39)(H,37,46)(H,38,45);1-8,11,18,20,27,30,34H,9-10,12-17,19,21-22H2,(H,35,38)(H,36,45)(H,37,44);3-9,12,20,22,27,30H,10-11,13-19,21,23H2,1-2H3,(H,34,37)(H,35,45)(H,36,44);2-7,16,18,23,26H,8-15,17,19H2,1H3,(H,30,33)(H,31,40)(H,32,39)/b9-6+;;;12-5+;
InChIKeyANFCKFFIDDCFSX-RYIYKGFCSA-N
XLogP17.83
TPSA603.58 Ų
H-Bond Donors16
H-Bond Acceptors26
Rotatable Bonds37
Heavy Atoms224
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003043.78
LogP ≤ 517.83
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1026

Analyze N-[1-[4-[(E)-3-(dimethylamino)prop-2-enyl]piperazin-1-yl]-3-(1H-indazol-5-yl)-1-oxopropan-2-yl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide;N-[1-[4-(2-ethyl-3-methylbutyl)piperazin-1-yl]-3-(1H-indazol-5-yl)-1-oxopropan-2-yl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide;N-[3-(1H-indazol-5-yl)-1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide;N-[3-(1H-indazol-5-yl)-1-oxo-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propan-2-yl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide;N-[3-(1H-indazol-5-yl)-1-oxo-1-[4-(1H-pyrrol-2-ylmethyl)piperazin-1-yl]propan-2-yl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

4-(2-oxo-1,4-dihydroquinazolin-3-yl)-N-[1-oxo-1-(4-piperidin-1-ylpiperidin-1-yl)-3-(7-propan-2-yl-1H-indazol-5-yl)propan-2-yl]piperidine-1-carboxamide
CID 11158071
US10300056, Example 10
CID 129072538
N-[(2R)-3-(7-methyl-1H-indazol-5-yl)-1-oxo-1-[[(2S)-1-oxo-3-piperidin-4-yl-1-(4-pyridin-4-ylpiperazin-1-yl)propan-2-yl]amino]propan-2-yl]-4-(2-oxo-1H-quinolin-3-yl)piperidine-1-carboxamide
CID 129072542
US10300056, Example 1
CID 129072547
N-[(2R)-1-[[(2S)-6-amino-1-oxo-1-(4-pyridin-4-ylpiperazin-1-yl)hexan-2-yl]amino]-3-(7-methyl-1H-indazol-5-yl)-1-oxopropan-2-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide
CID 156013389
N-[(2R)-3-(7-methyl-1H-indazol-5-yl)-1-oxo-1-[[(2S)-1-oxo-3-pyridin-4-yl-1-(4-pyridin-4-ylpiperazin-1-yl)propan-2-yl]amino]propan-2-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide
CID 156014376
3-[1-[4-(7-methyl-1H-indazol-5-yl)-3-(3-methyl-2-pyridinyl)butanoyl]piperidin-4-yl]-1,4-dihydroquinazolin-2-one
CID 11156698
3-[1-[3-(4-ethyl-2-pyridinyl)-4-(7-methyl-1H-indazol-5-yl)butanoyl]piperidin-4-yl]-1,4-dihydroquinazolin-2-one
CID 11191890
3-[1-[4-(7-methyl-1H-indazol-5-yl)-3-[5-(piperidin-1-ylmethyl)-2-pyridinyl]butanoyl]piperidin-4-yl]-1,4-dihydroquinazolin-2-one
CID 11192748
3-[1-[4-(7-methyl-1H-indazol-5-yl)-3-pyridin-2-ylbutanoyl]piperidin-4-yl]-1,4-dihydroquinazolin-2-one
CID 11432183
3-[1-[4-(7-methyl-1H-indazol-5-yl)-3-(5-methyl-2-pyridinyl)butanoyl]piperidin-4-yl]-1,4-dihydroquinazolin-2-one
CID 11785754
4-(2-oxo-1,4-dihydroquinazolin-3-yl)-N-[(7R)-8-oxo-9-(2-pyridin-4-ylethyl)-3,6,7,10-tetrahydropyrazolo[5,4-i][2]benzazepin-7-yl]piperidine-1-carboxamide
CID 162649395

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-[(E)-3-(dimethylamino)prop-2-enyl]piperazin-1-yl]-3-(1H-indazol-5-yl)-1-oxopropan-2-yl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide;N-[1-[4-(2-ethyl-3-methylbutyl)piperazin-1-yl]-3-(1H-indazol-5-yl)-1-oxopropan-2-yl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide;N-[3-(1H-indazol-5-yl)-1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide;N-[3-(1H-indazol-5-yl)-1-oxo-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propan-2-yl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide;N-[3-(1H-indazol-5-yl)-1-oxo-1-[4-(1H-pyrrol-2-ylmethyl)piperazin-1-yl]propan-2-yl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide?
The IUPAC name of N-[1-[4-[(E)-3-(dimethylamino)prop-2-enyl]piperazin-1-yl]-3-(1H-indazol-5-yl)-1-oxopropan-2-yl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide;N-[1-[4-(2-ethyl-3-methylbutyl)piperazin-1-yl]-3-(1H-indazol-5-yl)-1-oxopropan-2-yl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide;N-[3-(1H-indazol-5-yl)-1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide;N-[3-(1H-indazol-5-yl)-1-oxo-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propan-2-yl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide;N-[3-(1H-indazol-5-yl)-1-oxo-1-[4-(1H-pyrrol-2-ylmethyl)piperazin-1-yl]propan-2-yl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide (CID 157168705) is N-[1-[4-[(E)-3-(dimethylamino)prop-2-enyl]piperazin-1-yl]-3-(1H-indazol-5-yl)-1-oxopropan-2-yl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide;N-[1-[4-(2-ethyl-3-methylbutyl)piperazin-1-yl]-3-(1H-indazol-5-yl)-1-oxopropan-2-yl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide;N-[3-(1H-indazol-5-yl)-1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide;N-[3-(1H-indazol-5-yl)-1-oxo-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propan-2-yl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide;N-[3-(1H-indazol-5-yl)-1-oxo-1-[4-(1H-pyrrol-2-ylmethyl)piperazin-1-yl]propan-2-yl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-[1-[4-[(E)-3-(dimethylamino)prop-2-enyl]piperazin-1-yl]-3-(1H-indazol-5-yl)-1-oxopropan-2-yl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide;N-[1-[4-(2-ethyl-3-methylbutyl)piperazin-1-yl]-3-(1H-indazol-5-yl)-1-oxopropan-2-yl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide;N-[3-(1H-indazol-5-yl)-1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide;N-[3-(1H-indazol-5-yl)-1-oxo-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propan-2-yl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide;N-[3-(1H-indazol-5-yl)-1-oxo-1-[4-(1H-pyrrol-2-ylmethyl)piperazin-1-yl]propan-2-yl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide?
The canonical SMILES for N-[1-[4-[(E)-3-(dimethylamino)prop-2-enyl]piperazin-1-yl]-3-(1H-indazol-5-yl)-1-oxopropan-2-yl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide;N-[1-[4-(2-ethyl-3-methylbutyl)piperazin-1-yl]-3-(1H-indazol-5-yl)-1-oxopropan-2-yl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide;N-[3-(1H-indazol-5-yl)-1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide;N-[3-(1H-indazol-5-yl)-1-oxo-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propan-2-yl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide;N-[3-(1H-indazol-5-yl)-1-oxo-1-[4-(1H-pyrrol-2-ylmethyl)piperazin-1-yl]propan-2-yl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide is CCC(CN1CCN(C(=O)C(Cc2ccc3[nH]ncc3c2)NC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)CC1)C(C)C.CN(C)/C=C/CN1CCN(C(=O)C(Cc2ccc3[nH]ncc3c2)NC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)CC1.CN1CCN(C(=O)C(Cc2ccc3[nH]ncc3c2)NC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)CC1.O=C(NC(Cc1ccc2[nH]ncc2c1)C(=O)N1CCN(C/C=C/c2ccccc2)CC1)N1CCC(N2Cc3ccccc3NC2=O)CC1.O=C(NC(Cc1ccc2[nH]ncc2c1)C(=O)N1CCN(Cc2ccc[nH]2)CC1)N1CCC(N2Cc3ccccc3NC2=O)CC1.
What is the InChIKey of N-[1-[4-[(E)-3-(dimethylamino)prop-2-enyl]piperazin-1-yl]-3-(1H-indazol-5-yl)-1-oxopropan-2-yl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide;N-[1-[4-(2-ethyl-3-methylbutyl)piperazin-1-yl]-3-(1H-indazol-5-yl)-1-oxopropan-2-yl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide;N-[3-(1H-indazol-5-yl)-1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide;N-[3-(1H-indazol-5-yl)-1-oxo-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propan-2-yl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide;N-[3-(1H-indazol-5-yl)-1-oxo-1-[4-(1H-pyrrol-2-ylmethyl)piperazin-1-yl]propan-2-yl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide?
The InChIKey is ANFCKFFIDDCFSX-RYIYKGFCSA-N. The full InChI is InChI=1S/C37H42N8O3.C35H48N8O3.C33H39N9O3.C33H43N9O3.C29H36N8O3/c46-35(43-21-19-42(20-22-43)16-6-9-27-7-2-1-3-8-27)34(24-28-12-13-33-30(23-28)25-38-41-33)40-36(47)44-17-14-31(15-18-44)45-26-29-10-4-5-11-32(29)39-37(45)48;1-4-26(24(2)3)22-40-15-17-41(18-16-40)33(44)32(20-25-9-10-31-28(19-25)21-36-39-31)38-34(45)42-13-11-29(12-14-42)43-23-27-7-5-6-8-30(27)37-35(43)46;43-31(40-16-14-39(15-17-40)22-26-5-3-11-34-26)30(19-23-7-8-29-25(18-23)20-35-38-29)37-32(44)41-12-9-27(10-13-41)42-21-24-4-1-2-6-28(24)36-33(42)45;1-38(2)12-5-13-39-16-18-40(19-17-39)31(43)30(21-24-8-9-29-26(20-24)22-34-37-29)36-32(44)41-14-10-27(11-15-41)42-23-25-6-3-4-7-28(25)35-33(42)45;1-34-12-14-35(15-13-34)27(38)26(17-20-6-7-25-22(16-20)18-30-33-25)32-28(39)36-10-8-23(9-11-36)37-19-21-4-2-3-5-24(21)31-29(37)40/h1-13,23,25,31,34H,14-22,24,26H2,(H,38,41)(H,39,48)(H,40,47);5-10,19,21,24,26,29,32H,4,11-18,20,22-23H2,1-3H3,(H,36,39)(H,37,46)(H,38,45);1-8,11,18,20,27,30,34H,9-10,12-17,19,21-22H2,(H,35,38)(H,36,45)(H,37,44);3-9,12,20,22,27,30H,10-11,13-19,21,23H2,1-2H3,(H,34,37)(H,35,45)(H,36,44);2-7,16,18,23,26H,8-15,17,19H2,1H3,(H,30,33)(H,31,40)(H,32,39)/b9-6+;;;12-5+;.
What are the key properties of N-[1-[4-[(E)-3-(dimethylamino)prop-2-enyl]piperazin-1-yl]-3-(1H-indazol-5-yl)-1-oxopropan-2-yl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide;N-[1-[4-(2-ethyl-3-methylbutyl)piperazin-1-yl]-3-(1H-indazol-5-yl)-1-oxopropan-2-yl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide;N-[3-(1H-indazol-5-yl)-1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide;N-[3-(1H-indazol-5-yl)-1-oxo-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propan-2-yl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide;N-[3-(1H-indazol-5-yl)-1-oxo-1-[4-(1H-pyrrol-2-ylmethyl)piperazin-1-yl]propan-2-yl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide?
N-[1-[4-[(E)-3-(dimethylamino)prop-2-enyl]piperazin-1-yl]-3-(1H-indazol-5-yl)-1-oxopropan-2-yl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide;N-[1-[4-(2-ethyl-3-methylbutyl)piperazin-1-yl]-3-(1H-indazol-5-yl)-1-oxopropan-2-yl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide;N-[3-(1H-indazol-5-yl)-1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide;N-[3-(1H-indazol-5-yl)-1-oxo-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propan-2-yl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide;N-[3-(1H-indazol-5-yl)-1-oxo-1-[4-(1H-pyrrol-2-ylmethyl)piperazin-1-yl]propan-2-yl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide has a molecular weight of 3043.78 g/mol, XLogP of 17.83, 37 rotatable bonds, 16 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-[(E)-3-(dimethylamino)prop-2-enyl]piperazin-1-yl]-3-(1H-indazol-5-yl)-1-oxopropan-2-yl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide;N-[1-[4-(2-ethyl-3-methylbutyl)piperazin-1-yl]-3-(1H-indazol-5-yl)-1-oxopropan-2-yl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide;N-[3-(1H-indazol-5-yl)-1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide;N-[3-(1H-indazol-5-yl)-1-oxo-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propan-2-yl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide;N-[3-(1H-indazol-5-yl)-1-oxo-1-[4-(1H-pyrrol-2-ylmethyl)piperazin-1-yl]propan-2-yl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide is sourced from PubChem (CID 157168705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).