N-[4-[(dimethylamino)methyl]phenyl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(6-morpholin-4-yl-3-pyridinyl)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(6-piperidin-1-yl-3-pyridinyl)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide

C110H122N28O5 — CID 157375103

IUPACN-[4-[(dimethylamino)methyl]phenyl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(6-morpholin-4-yl-3-pyridinyl)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(6-piperidin-1-yl-3-pyridinyl)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
SMILESCN(C)Cc1ccc(NC(=O)c2n[nH]c3ccc(-c4cncc(CN5CCCC5)c4)cc23)cc1.CN1CCN(c2ccc(NC(=O)c3n[nH]c4ccc(-c5cncc(CN6CCCC6)c5)cc34)cn2)CC1.O=C(Nc1ccc(N2CCCCC2)nc1)c1n[nH]c2ccc(-c3cncc(CN4CCCC4)c3)cc12.O=C(Nc1ccc(N2CCOCC2)nc1)c1n[nH]c2ccc(-c3cncc(CN4CCCC4)c3)cc12
InChIInChI=1S/C28H32N8O.C28H31N7O.C27H29N7O2.C27H30N6O/c1-34-10-12-36(13-11-34)26-7-5-23(18-30-26)31-28(37)27-24-15-21(4-6-25(24)32-33-27)22-14-20(16-29-17-22)19-35-8-2-3-9-35;36-28(31-23-7-9-26(30-18-23)35-12-2-1-3-13-35)27-24-15-21(6-8-25(24)32-33-27)22-14-20(16-29-17-22)19-34-10-4-5-11-34;35-27(30-22-4-6-25(29-17-22)34-9-11-36-12-10-34)26-23-14-20(3-5-24(23)31-32-26)21-13-19(15-28-16-21)18-33-7-1-2-8-33;1-32(2)17-19-5-8-23(9-6-19)29-27(34)26-24-14-21(7-10-25(24)30-31-26)22-13-20(15-28-16-22)18-33-11-3-4-12-33/h4-7,14-18H,2-3,8-13,19H2,1H3,(H,31,37)(H,32,33);6-9,14-18H,1-5,10-13,19H2,(H,31,36)(H,32,33);3-6,13-17H,1-2,7-12,18H2,(H,30,35)(H,31,32);5-10,13-16H,3-4,11-12,17-18H2,1-2H3,(H,29,34)(H,30,31)
InChIKeyBKFQSCXPIPXBJP-UHFFFAOYSA-N
MW1916.38 g/mol
LogP16.72
Rot. Bonds25

About N-[4-[(dimethylamino)methyl]phenyl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(6-morpholin-4-yl-3-pyridinyl)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(6-piperidin-1-yl-3-pyridinyl)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide

N-[4-[(dimethylamino)methyl]phenyl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(6-morpholin-4-yl-3-pyridinyl)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(6-piperidin-1-yl-3-pyridinyl)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide (PubChem CID 157375103) has the molecular formula C110H122N28O5 and a molecular weight of 1916.38 g/mol. Its IUPAC name is N-[4-[(dimethylamino)methyl]phenyl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(6-morpholin-4-yl-3-pyridinyl)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(6-piperidin-1-yl-3-pyridinyl)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-[(dimethylamino)methyl]phenyl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(6-morpholin-4-yl-3-pyridinyl)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(6-piperidin-1-yl-3-pyridinyl)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
PubChem CID157375103
Molecular FormulaC110H122N28O5
Molecular Weight1916.38 g/mol
Exact Mass1915.02
IUPAC NameN-[4-[(dimethylamino)methyl]phenyl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(6-morpholin-4-yl-3-pyridinyl)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(6-piperidin-1-yl-3-pyridinyl)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
SMILESCN(C)Cc1ccc(NC(=O)c2n[nH]c3ccc(-c4cncc(CN5CCCC5)c4)cc23)cc1.CN1CCN(c2ccc(NC(=O)c3n[nH]c4ccc(-c5cncc(CN6CCCC6)c5)cc34)cn2)CC1.O=C(Nc1ccc(N2CCCCC2)nc1)c1n[nH]c2ccc(-c3cncc(CN4CCCC4)c3)cc12.O=C(Nc1ccc(N2CCOCC2)nc1)c1n[nH]c2ccc(-c3cncc(CN4CCCC4)c3)cc12
InChIInChI=1S/C28H32N8O.C28H31N7O.C27H29N7O2.C27H30N6O/c1-34-10-12-36(13-11-34)26-7-5-23(18-30-26)31-28(37)27-24-15-21(4-6-25(24)32-33-27)22-14-20(16-29-17-22)19-35-8-2-3-9-35;36-28(31-23-7-9-26(30-18-23)35-12-2-1-3-13-35)27-24-15-21(6-8-25(24)32-33-27)22-14-20(16-29-17-22)19-34-10-4-5-11-34;35-27(30-22-4-6-25(29-17-22)34-9-11-36-12-10-34)26-23-14-20(3-5-24(23)31-32-26)21-13-19(15-28-16-21)18-33-7-1-2-8-33;1-32(2)17-19-5-8-23(9-6-19)29-27(34)26-24-14-21(7-10-25(24)30-31-26)22-13-20(15-28-16-22)18-33-11-3-4-12-33/h4-7,14-18H,2-3,8-13,19H2,1H3,(H,31,37)(H,32,33);6-9,14-18H,1-5,10-13,19H2,(H,31,36)(H,32,33);3-6,13-17H,1-2,7-12,18H2,(H,30,35)(H,31,32);5-10,13-16H,3-4,11-12,17-18H2,1-2H3,(H,29,34)(H,30,31)
InChIKeyBKFQSCXPIPXBJP-UHFFFAOYSA-N
XLogP16.72
TPSA359.74 Ų
H-Bond Donors8
H-Bond Acceptors25
Rotatable Bonds25
Heavy Atoms143
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001916.38
LogP ≤ 516.72
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1025

Analyze N-[4-[(dimethylamino)methyl]phenyl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(6-morpholin-4-yl-3-pyridinyl)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(6-piperidin-1-yl-3-pyridinyl)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(dimethylamino)methyl]phenyl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(6-morpholin-4-yl-3-pyridinyl)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(6-piperidin-1-yl-3-pyridinyl)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide?
The IUPAC name of N-[4-[(dimethylamino)methyl]phenyl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(6-morpholin-4-yl-3-pyridinyl)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(6-piperidin-1-yl-3-pyridinyl)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide (CID 157375103) is N-[4-[(dimethylamino)methyl]phenyl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(6-morpholin-4-yl-3-pyridinyl)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(6-piperidin-1-yl-3-pyridinyl)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[4-[(dimethylamino)methyl]phenyl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(6-morpholin-4-yl-3-pyridinyl)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(6-piperidin-1-yl-3-pyridinyl)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide?
The canonical SMILES for N-[4-[(dimethylamino)methyl]phenyl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(6-morpholin-4-yl-3-pyridinyl)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(6-piperidin-1-yl-3-pyridinyl)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide is CN(C)Cc1ccc(NC(=O)c2n[nH]c3ccc(-c4cncc(CN5CCCC5)c4)cc23)cc1.CN1CCN(c2ccc(NC(=O)c3n[nH]c4ccc(-c5cncc(CN6CCCC6)c5)cc34)cn2)CC1.O=C(Nc1ccc(N2CCCCC2)nc1)c1n[nH]c2ccc(-c3cncc(CN4CCCC4)c3)cc12.O=C(Nc1ccc(N2CCOCC2)nc1)c1n[nH]c2ccc(-c3cncc(CN4CCCC4)c3)cc12.
What is the InChIKey of N-[4-[(dimethylamino)methyl]phenyl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(6-morpholin-4-yl-3-pyridinyl)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(6-piperidin-1-yl-3-pyridinyl)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide?
The InChIKey is BKFQSCXPIPXBJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N8O.C28H31N7O.C27H29N7O2.C27H30N6O/c1-34-10-12-36(13-11-34)26-7-5-23(18-30-26)31-28(37)27-24-15-21(4-6-25(24)32-33-27)22-14-20(16-29-17-22)19-35-8-2-3-9-35;36-28(31-23-7-9-26(30-18-23)35-12-2-1-3-13-35)27-24-15-21(6-8-25(24)32-33-27)22-14-20(16-29-17-22)19-34-10-4-5-11-34;35-27(30-22-4-6-25(29-17-22)34-9-11-36-12-10-34)26-23-14-20(3-5-24(23)31-32-26)21-13-19(15-28-16-21)18-33-7-1-2-8-33;1-32(2)17-19-5-8-23(9-6-19)29-27(34)26-24-14-21(7-10-25(24)30-31-26)22-13-20(15-28-16-22)18-33-11-3-4-12-33/h4-7,14-18H,2-3,8-13,19H2,1H3,(H,31,37)(H,32,33);6-9,14-18H,1-5,10-13,19H2,(H,31,36)(H,32,33);3-6,13-17H,1-2,7-12,18H2,(H,30,35)(H,31,32);5-10,13-16H,3-4,11-12,17-18H2,1-2H3,(H,29,34)(H,30,31).
What are the key properties of N-[4-[(dimethylamino)methyl]phenyl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(6-morpholin-4-yl-3-pyridinyl)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(6-piperidin-1-yl-3-pyridinyl)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide?
N-[4-[(dimethylamino)methyl]phenyl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(6-morpholin-4-yl-3-pyridinyl)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(6-piperidin-1-yl-3-pyridinyl)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide has a molecular weight of 1916.38 g/mol, XLogP of 16.72, 25 rotatable bonds, 8 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(dimethylamino)methyl]phenyl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(6-morpholin-4-yl-3-pyridinyl)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(6-piperidin-1-yl-3-pyridinyl)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 157375103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).