N-[3-[1-[9-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxynonanoyl]piperidin-4-yl]-1-pyridin-2-ylpyrazol-5-yl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide;N-[3-[1-[3-[2-[2-[2-[4-[[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxymethyl]phenyl]methyl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]propanoyl]piperidin-4-yl]-1-pyridin-2-ylpyrazol-5-yl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide;N-[3-[1-[3-[2-[2-[3-[[(2S)-1-[(2R,4S)-4-hydroxy-2-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]cyclopentyl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]propanoyl]piperidin-4-yl]-1-pyridin-2-ylpyrazol-5-yl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide

C156H179N33O25S — CID 158889907

IUPACN-[3-[1-[9-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxynonanoyl]piperidin-4-yl]-1-pyridin-2-ylpyrazol-5-yl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide;N-[3-[1-[3-[2-[2-[2-[4-[[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxymethyl]phenyl]methyl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]propanoyl]piperidin-4-yl]-1-pyridin-2-ylpyrazol-5-yl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide;N-[3-[1-[3-[2-[2-[3-[[(2S)-1-[(2R,4S)-4-hydroxy-2-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]cyclopentyl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]propanoyl]piperidin-4-yl]-1-pyridin-2-ylpyrazol-5-yl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide
SMILESCc1ncsc1-c1ccc([C@H](C)NC(=O)[C@@H]2C[C@@H](O)CC2C(=O)[C@@H](NC(=O)CCOCCOCCOCCC(=O)N2CCC(c3cc(NC(=O)c4cccc(-c5ccn[nH]5)n4)n(-c4ccccn4)n3)CC2)C(C)(C)C)cc1.O=C1CCC(N2C(=O)c3cccc(OCCCCCCCCC(=O)N4CCC(c5cc(NC(=O)c6cccc(-c7ccn[nH]7)n6)n(-c6ccccn6)n5)CC4)c3C2=O)C(=O)N1.O=C1CCC(N2Cc3c(OCc4ccc(CN5CCN(CCOCCOCCOCCC(=O)N6CCC(c7cc(NC(=O)c8cccc(-c9ccn[nH]9)n8)n(-c8ccccn8)n7)CC6)CC5)cc4)cccc3C2=O)C(=O)N1
InChIInChI=1S/C56H64N12O9.C56H69N11O9S.C44H46N10O7/c69-52-15-14-48(55(72)61-52)67-37-43-42(56(67)73)5-3-8-49(43)77-38-40-12-10-39(11-13-40)36-65-26-24-64(25-27-65)28-30-75-32-34-76-33-31-74-29-19-53(70)66-22-17-41(18-23-66)47-35-51(68(63-47)50-9-1-2-20-57-50)60-54(71)46-7-4-6-44(59-46)45-16-21-58-62-45;1-35(37-12-14-39(15-13-37)52-36(2)58-34-77-52)60-54(72)42-32-40(68)31-41(42)51(71)53(56(3,4)5)63-49(69)19-25-74-27-29-76-30-28-75-26-20-50(70)66-23-17-38(18-24-66)46-33-48(67(65-46)47-11-6-7-21-57-47)62-55(73)45-10-8-9-43(61-45)44-16-22-59-64-44;55-38-18-17-34(42(58)49-38)53-43(59)29-11-9-14-35(40(29)44(53)60)61-26-8-4-2-1-3-5-16-39(56)52-24-20-28(21-25-52)33-27-37(54(51-33)36-15-6-7-22-45-36)48-41(57)32-13-10-12-30(47-32)31-19-23-46-50-31/h1-13,16,20-21,35,41,48H,14-15,17-19,22-34,36-38H2,(H,58,62)(H,60,71)(H,61,69,72);6-16,21-22,33-35,38,40-42,53,68H,17-20,23-32H2,1-5H3,(H,59,64)(H,60,72)(H,62,73)(H,63,69);6-7,9-15,19,22-23,27-28,34H,1-5,8,16-18,20-21,24-26H2,(H,46,50)(H,48,57)(H,49,55,58)/t;35-,40-,41?,42+,53+;/m.0./s1
InChIKeyJECCIFNFTJQHPD-WXKXEASNSA-N
MW2948.42 g/mol
LogP16.47
Rot. Bonds63

About N-[3-[1-[9-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxynonanoyl]piperidin-4-yl]-1-pyridin-2-ylpyrazol-5-yl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide;N-[3-[1-[3-[2-[2-[2-[4-[[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxymethyl]phenyl]methyl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]propanoyl]piperidin-4-yl]-1-pyridin-2-ylpyrazol-5-yl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide;N-[3-[1-[3-[2-[2-[3-[[(2S)-1-[(2R,4S)-4-hydroxy-2-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]cyclopentyl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]propanoyl]piperidin-4-yl]-1-pyridin-2-ylpyrazol-5-yl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide

N-[3-[1-[9-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxynonanoyl]piperidin-4-yl]-1-pyridin-2-ylpyrazol-5-yl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide;N-[3-[1-[3-[2-[2-[2-[4-[[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxymethyl]phenyl]methyl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]propanoyl]piperidin-4-yl]-1-pyridin-2-ylpyrazol-5-yl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide;N-[3-[1-[3-[2-[2-[3-[[(2S)-1-[(2R,4S)-4-hydroxy-2-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]cyclopentyl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]propanoyl]piperidin-4-yl]-1-pyridin-2-ylpyrazol-5-yl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide (PubChem CID 158889907) has the molecular formula C156H179N33O25S and a molecular weight of 2948.42 g/mol. Its IUPAC name is N-[3-[1-[9-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxynonanoyl]piperidin-4-yl]-1-pyridin-2-ylpyrazol-5-yl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide;N-[3-[1-[3-[2-[2-[2-[4-[[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxymethyl]phenyl]methyl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]propanoyl]piperidin-4-yl]-1-pyridin-2-ylpyrazol-5-yl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide;N-[3-[1-[3-[2-[2-[3-[[(2S)-1-[(2R,4S)-4-hydroxy-2-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]cyclopentyl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]propanoyl]piperidin-4-yl]-1-pyridin-2-ylpyrazol-5-yl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-[1-[9-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxynonanoyl]piperidin-4-yl]-1-pyridin-2-ylpyrazol-5-yl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide;N-[3-[1-[3-[2-[2-[2-[4-[[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxymethyl]phenyl]methyl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]propanoyl]piperidin-4-yl]-1-pyridin-2-ylpyrazol-5-yl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide;N-[3-[1-[3-[2-[2-[3-[[(2S)-1-[(2R,4S)-4-hydroxy-2-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]cyclopentyl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]propanoyl]piperidin-4-yl]-1-pyridin-2-ylpyrazol-5-yl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide
PubChem CID158889907
Molecular FormulaC156H179N33O25S
Molecular Weight2948.42 g/mol
Exact Mass2946.35
IUPAC NameN-[3-[1-[9-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxynonanoyl]piperidin-4-yl]-1-pyridin-2-ylpyrazol-5-yl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide;N-[3-[1-[3-[2-[2-[2-[4-[[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxymethyl]phenyl]methyl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]propanoyl]piperidin-4-yl]-1-pyridin-2-ylpyrazol-5-yl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide;N-[3-[1-[3-[2-[2-[3-[[(2S)-1-[(2R,4S)-4-hydroxy-2-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]cyclopentyl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]propanoyl]piperidin-4-yl]-1-pyridin-2-ylpyrazol-5-yl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide
SMILESCc1ncsc1-c1ccc([C@H](C)NC(=O)[C@@H]2C[C@@H](O)CC2C(=O)[C@@H](NC(=O)CCOCCOCCOCCC(=O)N2CCC(c3cc(NC(=O)c4cccc(-c5ccn[nH]5)n4)n(-c4ccccn4)n3)CC2)C(C)(C)C)cc1.O=C1CCC(N2C(=O)c3cccc(OCCCCCCCCC(=O)N4CCC(c5cc(NC(=O)c6cccc(-c7ccn[nH]7)n6)n(-c6ccccn6)n5)CC4)c3C2=O)C(=O)N1.O=C1CCC(N2Cc3c(OCc4ccc(CN5CCN(CCOCCOCCOCCC(=O)N6CCC(c7cc(NC(=O)c8cccc(-c9ccn[nH]9)n8)n(-c8ccccn8)n7)CC6)CC5)cc4)cccc3C2=O)C(=O)N1
InChIInChI=1S/C56H64N12O9.C56H69N11O9S.C44H46N10O7/c69-52-15-14-48(55(72)61-52)67-37-43-42(56(67)73)5-3-8-49(43)77-38-40-12-10-39(11-13-40)36-65-26-24-64(25-27-65)28-30-75-32-34-76-33-31-74-29-19-53(70)66-22-17-41(18-23-66)47-35-51(68(63-47)50-9-1-2-20-57-50)60-54(71)46-7-4-6-44(59-46)45-16-21-58-62-45;1-35(37-12-14-39(15-13-37)52-36(2)58-34-77-52)60-54(72)42-32-40(68)31-41(42)51(71)53(56(3,4)5)63-49(69)19-25-74-27-29-76-30-28-75-26-20-50(70)66-23-17-38(18-24-66)46-33-48(67(65-46)47-11-6-7-21-57-47)62-55(73)45-10-8-9-43(61-45)44-16-22-59-64-44;55-38-18-17-34(42(58)49-38)53-43(59)29-11-9-14-35(40(29)44(53)60)61-26-8-4-2-1-3-5-16-39(56)52-24-20-28(21-25-52)33-27-37(54(51-33)36-15-6-7-22-45-36)48-41(57)32-13-10-12-30(47-32)31-19-23-46-50-31/h1-13,16,20-21,35,41,48H,14-15,17-19,22-34,36-38H2,(H,58,62)(H,60,71)(H,61,69,72);6-16,21-22,33-35,38,40-42,53,68H,17-20,23-32H2,1-5H3,(H,59,64)(H,60,72)(H,62,73)(H,63,69);6-7,9-15,19,22-23,27-28,34H,1-5,8,16-18,20-21,24-26H2,(H,46,50)(H,48,57)(H,49,55,58)/t;35-,40-,41?,42+,53+;/m.0./s1
InChIKeyJECCIFNFTJQHPD-WXKXEASNSA-N
XLogP16.47
TPSA703.81 Ų
H-Bond Donors11
H-Bond Acceptors44
Rotatable Bonds63
Heavy Atoms215
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002948.42
LogP ≤ 516.47
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1044

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze N-[3-[1-[9-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxynonanoyl]piperidin-4-yl]-1-pyridin-2-ylpyrazol-5-yl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide;N-[3-[1-[3-[2-[2-[2-[4-[[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxymethyl]phenyl]methyl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]propanoyl]piperidin-4-yl]-1-pyridin-2-ylpyrazol-5-yl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide;N-[3-[1-[3-[2-[2-[3-[[(2S)-1-[(2R,4S)-4-hydroxy-2-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]cyclopentyl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]propanoyl]piperidin-4-yl]-1-pyridin-2-ylpyrazol-5-yl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[3-[1-[9-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxynonanoyl]piperidin-4-yl]-1-pyridin-2-ylpyrazol-5-yl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide;N-[3-[1-[3-[2-[2-[2-[4-[[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxymethyl]phenyl]methyl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]propanoyl]piperidin-4-yl]-1-pyridin-2-ylpyrazol-5-yl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide;N-[3-[1-[3-[2-[2-[3-[[(2S)-1-[(2R,4S)-4-hydroxy-2-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]cyclopentyl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]propanoyl]piperidin-4-yl]-1-pyridin-2-ylpyrazol-5-yl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide?
The IUPAC name of N-[3-[1-[9-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxynonanoyl]piperidin-4-yl]-1-pyridin-2-ylpyrazol-5-yl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide;N-[3-[1-[3-[2-[2-[2-[4-[[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxymethyl]phenyl]methyl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]propanoyl]piperidin-4-yl]-1-pyridin-2-ylpyrazol-5-yl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide;N-[3-[1-[3-[2-[2-[3-[[(2S)-1-[(2R,4S)-4-hydroxy-2-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]cyclopentyl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]propanoyl]piperidin-4-yl]-1-pyridin-2-ylpyrazol-5-yl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide (CID 158889907) is N-[3-[1-[9-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxynonanoyl]piperidin-4-yl]-1-pyridin-2-ylpyrazol-5-yl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide;N-[3-[1-[3-[2-[2-[2-[4-[[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxymethyl]phenyl]methyl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]propanoyl]piperidin-4-yl]-1-pyridin-2-ylpyrazol-5-yl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide;N-[3-[1-[3-[2-[2-[3-[[(2S)-1-[(2R,4S)-4-hydroxy-2-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]cyclopentyl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]propanoyl]piperidin-4-yl]-1-pyridin-2-ylpyrazol-5-yl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-[3-[1-[9-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxynonanoyl]piperidin-4-yl]-1-pyridin-2-ylpyrazol-5-yl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide;N-[3-[1-[3-[2-[2-[2-[4-[[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxymethyl]phenyl]methyl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]propanoyl]piperidin-4-yl]-1-pyridin-2-ylpyrazol-5-yl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide;N-[3-[1-[3-[2-[2-[3-[[(2S)-1-[(2R,4S)-4-hydroxy-2-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]cyclopentyl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]propanoyl]piperidin-4-yl]-1-pyridin-2-ylpyrazol-5-yl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide?
The canonical SMILES for N-[3-[1-[9-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxynonanoyl]piperidin-4-yl]-1-pyridin-2-ylpyrazol-5-yl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide;N-[3-[1-[3-[2-[2-[2-[4-[[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxymethyl]phenyl]methyl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]propanoyl]piperidin-4-yl]-1-pyridin-2-ylpyrazol-5-yl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide;N-[3-[1-[3-[2-[2-[3-[[(2S)-1-[(2R,4S)-4-hydroxy-2-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]cyclopentyl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]propanoyl]piperidin-4-yl]-1-pyridin-2-ylpyrazol-5-yl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide is Cc1ncsc1-c1ccc([C@H](C)NC(=O)[C@@H]2C[C@@H](O)CC2C(=O)[C@@H](NC(=O)CCOCCOCCOCCC(=O)N2CCC(c3cc(NC(=O)c4cccc(-c5ccn[nH]5)n4)n(-c4ccccn4)n3)CC2)C(C)(C)C)cc1.O=C1CCC(N2C(=O)c3cccc(OCCCCCCCCC(=O)N4CCC(c5cc(NC(=O)c6cccc(-c7ccn[nH]7)n6)n(-c6ccccn6)n5)CC4)c3C2=O)C(=O)N1.O=C1CCC(N2Cc3c(OCc4ccc(CN5CCN(CCOCCOCCOCCC(=O)N6CCC(c7cc(NC(=O)c8cccc(-c9ccn[nH]9)n8)n(-c8ccccn8)n7)CC6)CC5)cc4)cccc3C2=O)C(=O)N1.
What is the InChIKey of N-[3-[1-[9-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxynonanoyl]piperidin-4-yl]-1-pyridin-2-ylpyrazol-5-yl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide;N-[3-[1-[3-[2-[2-[2-[4-[[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxymethyl]phenyl]methyl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]propanoyl]piperidin-4-yl]-1-pyridin-2-ylpyrazol-5-yl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide;N-[3-[1-[3-[2-[2-[3-[[(2S)-1-[(2R,4S)-4-hydroxy-2-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]cyclopentyl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]propanoyl]piperidin-4-yl]-1-pyridin-2-ylpyrazol-5-yl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide?
The InChIKey is JECCIFNFTJQHPD-WXKXEASNSA-N. The full InChI is InChI=1S/C56H64N12O9.C56H69N11O9S.C44H46N10O7/c69-52-15-14-48(55(72)61-52)67-37-43-42(56(67)73)5-3-8-49(43)77-38-40-12-10-39(11-13-40)36-65-26-24-64(25-27-65)28-30-75-32-34-76-33-31-74-29-19-53(70)66-22-17-41(18-23-66)47-35-51(68(63-47)50-9-1-2-20-57-50)60-54(71)46-7-4-6-44(59-46)45-16-21-58-62-45;1-35(37-12-14-39(15-13-37)52-36(2)58-34-77-52)60-54(72)42-32-40(68)31-41(42)51(71)53(56(3,4)5)63-49(69)19-25-74-27-29-76-30-28-75-26-20-50(70)66-23-17-38(18-24-66)46-33-48(67(65-46)47-11-6-7-21-57-47)62-55(73)45-10-8-9-43(61-45)44-16-22-59-64-44;55-38-18-17-34(42(58)49-38)53-43(59)29-11-9-14-35(40(29)44(53)60)61-26-8-4-2-1-3-5-16-39(56)52-24-20-28(21-25-52)33-27-37(54(51-33)36-15-6-7-22-45-36)48-41(57)32-13-10-12-30(47-32)31-19-23-46-50-31/h1-13,16,20-21,35,41,48H,14-15,17-19,22-34,36-38H2,(H,58,62)(H,60,71)(H,61,69,72);6-16,21-22,33-35,38,40-42,53,68H,17-20,23-32H2,1-5H3,(H,59,64)(H,60,72)(H,62,73)(H,63,69);6-7,9-15,19,22-23,27-28,34H,1-5,8,16-18,20-21,24-26H2,(H,46,50)(H,48,57)(H,49,55,58)/t;35-,40-,41?,42+,53+;/m.0./s1.
What are the key properties of N-[3-[1-[9-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxynonanoyl]piperidin-4-yl]-1-pyridin-2-ylpyrazol-5-yl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide;N-[3-[1-[3-[2-[2-[2-[4-[[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxymethyl]phenyl]methyl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]propanoyl]piperidin-4-yl]-1-pyridin-2-ylpyrazol-5-yl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide;N-[3-[1-[3-[2-[2-[3-[[(2S)-1-[(2R,4S)-4-hydroxy-2-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]cyclopentyl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]propanoyl]piperidin-4-yl]-1-pyridin-2-ylpyrazol-5-yl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide?
N-[3-[1-[9-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxynonanoyl]piperidin-4-yl]-1-pyridin-2-ylpyrazol-5-yl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide;N-[3-[1-[3-[2-[2-[2-[4-[[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxymethyl]phenyl]methyl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]propanoyl]piperidin-4-yl]-1-pyridin-2-ylpyrazol-5-yl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide;N-[3-[1-[3-[2-[2-[3-[[(2S)-1-[(2R,4S)-4-hydroxy-2-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]cyclopentyl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]propanoyl]piperidin-4-yl]-1-pyridin-2-ylpyrazol-5-yl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide has a molecular weight of 2948.42 g/mol, XLogP of 16.47, 63 rotatable bonds, 11 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-[9-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxynonanoyl]piperidin-4-yl]-1-pyridin-2-ylpyrazol-5-yl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide;N-[3-[1-[3-[2-[2-[2-[4-[[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxymethyl]phenyl]methyl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]propanoyl]piperidin-4-yl]-1-pyridin-2-ylpyrazol-5-yl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide;N-[3-[1-[3-[2-[2-[3-[[(2S)-1-[(2R,4S)-4-hydroxy-2-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]cyclopentyl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]propanoyl]piperidin-4-yl]-1-pyridin-2-ylpyrazol-5-yl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide is sourced from PubChem (CID 158889907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).