N-[6-(azetidin-1-yl)-3-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(5-fluoro-6-morpholin-4-yl-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;bis(N-(5-methyl-6-pyrrolidin-1-yl-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide)

C113H125FN28O5 — CID 157148362

IUPACN-[6-(azetidin-1-yl)-3-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(5-fluoro-6-morpholin-4-yl-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;bis(N-(5-methyl-6-pyrrolidin-1-yl-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide)
SMILESCc1cc(NC(=O)c2n[nH]c3ccc(-c4cncc(CN5CCCCC5)c4)cc23)cnc1N1CCCC1.Cc1cc(NC(=O)c2n[nH]c3ccc(-c4cncc(CN5CCCCC5)c4)cc23)cnc1N1CCCC1.O=C(Nc1ccc(N2CCC2)nc1)c1n[nH]c2ccc(-c3cncc(CN4CCCCC4)c3)cc12.O=C(Nc1cnc(N2CCOCC2)c(F)c1)c1n[nH]c2ccc(-c3cncc(CN4CCCCC4)c3)cc12
InChIInChI=1S/2C29H33N7O.C28H30FN7O2.C27H29N7O/c2*1-20-13-24(18-31-28(20)36-11-5-6-12-36)32-29(37)27-25-15-22(7-8-26(25)33-34-27)23-14-21(16-30-17-23)19-35-9-3-2-4-10-35;29-24-14-22(17-31-27(24)36-8-10-38-11-9-36)32-28(37)26-23-13-20(4-5-25(23)33-34-26)21-12-19(15-30-16-21)18-35-6-2-1-3-7-35;35-27(30-22-6-8-25(29-17-22)34-11-4-12-34)26-23-14-20(5-7-24(23)31-32-26)21-13-19(15-28-16-21)18-33-9-2-1-3-10-33/h2*7-8,13-18H,2-6,9-12,19H2,1H3,(H,32,37)(H,33,34);4-5,12-17H,1-3,6-11,18H2,(H,32,37)(H,33,34);5-8,13-17H,1-4,9-12,18H2,(H,30,35)(H,31,32)
InChIKeyAKYVMJZQYPTFHG-UHFFFAOYSA-N
MW1974.43 g/mol
LogP19.04
Rot. Bonds24

About N-[6-(azetidin-1-yl)-3-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(5-fluoro-6-morpholin-4-yl-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;bis(N-(5-methyl-6-pyrrolidin-1-yl-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide)

N-[6-(azetidin-1-yl)-3-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(5-fluoro-6-morpholin-4-yl-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;bis(N-(5-methyl-6-pyrrolidin-1-yl-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide) (PubChem CID 157148362) has the molecular formula C113H125FN28O5 and a molecular weight of 1974.43 g/mol. Its IUPAC name is N-[6-(azetidin-1-yl)-3-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(5-fluoro-6-morpholin-4-yl-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;bis(N-(5-methyl-6-pyrrolidin-1-yl-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide).

Molecular Properties

Compound NameN-[6-(azetidin-1-yl)-3-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(5-fluoro-6-morpholin-4-yl-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;bis(N-(5-methyl-6-pyrrolidin-1-yl-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide)
PubChem CID157148362
Molecular FormulaC113H125FN28O5
Molecular Weight1974.43 g/mol
Exact Mass1973.04
IUPAC NameN-[6-(azetidin-1-yl)-3-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(5-fluoro-6-morpholin-4-yl-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;bis(N-(5-methyl-6-pyrrolidin-1-yl-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide)
SMILESCc1cc(NC(=O)c2n[nH]c3ccc(-c4cncc(CN5CCCCC5)c4)cc23)cnc1N1CCCC1.Cc1cc(NC(=O)c2n[nH]c3ccc(-c4cncc(CN5CCCCC5)c4)cc23)cnc1N1CCCC1.O=C(Nc1ccc(N2CCC2)nc1)c1n[nH]c2ccc(-c3cncc(CN4CCCCC4)c3)cc12.O=C(Nc1cnc(N2CCOCC2)c(F)c1)c1n[nH]c2ccc(-c3cncc(CN4CCCCC4)c3)cc12
InChIInChI=1S/2C29H33N7O.C28H30FN7O2.C27H29N7O/c2*1-20-13-24(18-31-28(20)36-11-5-6-12-36)32-29(37)27-25-15-22(7-8-26(25)33-34-27)23-14-21(16-30-17-23)19-35-9-3-2-4-10-35;29-24-14-22(17-31-27(24)36-8-10-38-11-9-36)32-28(37)26-23-13-20(4-5-25(23)33-34-26)21-12-19(15-30-16-21)18-35-6-2-1-3-7-35;35-27(30-22-6-8-25(29-17-22)34-11-4-12-34)26-23-14-20(5-7-24(23)31-32-26)21-13-19(15-28-16-21)18-33-9-2-1-3-10-33/h2*7-8,13-18H,2-6,9-12,19H2,1H3,(H,32,37)(H,33,34);4-5,12-17H,1-3,6-11,18H2,(H,32,37)(H,33,34);5-8,13-17H,1-4,9-12,18H2,(H,30,35)(H,31,32)
InChIKeyAKYVMJZQYPTFHG-UHFFFAOYSA-N
XLogP19.04
TPSA369.39 Ų
H-Bond Donors8
H-Bond Acceptors25
Rotatable Bonds24
Heavy Atoms147
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001974.43
LogP ≤ 519.04
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1025

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

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Related Compounds

5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]pyridin-3-yl]-N-[6-(4-methylpiperazin-1-yl)pyridin-3-yl]-1H-indazole-3-carboxamide
CID 89450403
5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-(6-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide
CID 89450963
N-[6-[2-(dimethylamino)ethyl-methylamino]-3-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 89451222
5-[5-[(2,6-difluorobenzoyl)amino]-3-pyridinyl]-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 118381143
N-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 118381226
N-(5-fluoro-6-pyrrolidin-1-yl-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 89450334
5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]pyridin-3-yl]-N-(6-piperazin-1-ylpyridin-3-yl)-1H-indazole-3-carboxamide
CID 89450387
5-[5-[(4,4-difluoropiperidin-1-yl)methyl]pyridin-3-yl]-N-[6-(4-methylpiperazin-1-yl)pyridin-3-yl]-1H-indazole-3-carboxamide
CID 89450415
N-[6-(3,3-difluoropyrrolidin-1-yl)pyridin-3-yl]-5-(5-pyrrolidin-1-ylpyridin-3-yl)-1H-indazole-3-carboxamide
CID 89450554
5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]pyridin-3-yl]-N-(6-pyrrolidin-1-ylpyridin-3-yl)-1H-indazole-3-carboxamide
CID 89450630
5-[5-[(4,4-difluoropiperidin-1-yl)methyl]pyridin-3-yl]-N-(6-piperazin-1-ylpyridin-3-yl)-1H-indazole-3-carboxamide
CID 89450783
5-[5-[(4,4-difluoropiperidin-1-yl)methyl]pyridin-3-yl]-N-(6-morpholin-4-ylpyridin-3-yl)-1H-indazole-3-carboxamide
CID 89450794

Frequently Asked Questions

What is the IUPAC name of N-[6-(azetidin-1-yl)-3-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(5-fluoro-6-morpholin-4-yl-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;bis(N-(5-methyl-6-pyrrolidin-1-yl-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide)?
The IUPAC name of N-[6-(azetidin-1-yl)-3-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(5-fluoro-6-morpholin-4-yl-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;bis(N-(5-methyl-6-pyrrolidin-1-yl-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide) (CID 157148362) is N-[6-(azetidin-1-yl)-3-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(5-fluoro-6-morpholin-4-yl-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;bis(N-(5-methyl-6-pyrrolidin-1-yl-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide).
What is the SMILES notation for N-[6-(azetidin-1-yl)-3-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(5-fluoro-6-morpholin-4-yl-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;bis(N-(5-methyl-6-pyrrolidin-1-yl-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide)?
The canonical SMILES for N-[6-(azetidin-1-yl)-3-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(5-fluoro-6-morpholin-4-yl-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;bis(N-(5-methyl-6-pyrrolidin-1-yl-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide) is Cc1cc(NC(=O)c2n[nH]c3ccc(-c4cncc(CN5CCCCC5)c4)cc23)cnc1N1CCCC1.Cc1cc(NC(=O)c2n[nH]c3ccc(-c4cncc(CN5CCCCC5)c4)cc23)cnc1N1CCCC1.O=C(Nc1ccc(N2CCC2)nc1)c1n[nH]c2ccc(-c3cncc(CN4CCCCC4)c3)cc12.O=C(Nc1cnc(N2CCOCC2)c(F)c1)c1n[nH]c2ccc(-c3cncc(CN4CCCCC4)c3)cc12.
What is the InChIKey of N-[6-(azetidin-1-yl)-3-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(5-fluoro-6-morpholin-4-yl-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;bis(N-(5-methyl-6-pyrrolidin-1-yl-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide)?
The InChIKey is AKYVMJZQYPTFHG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C29H33N7O.C28H30FN7O2.C27H29N7O/c2*1-20-13-24(18-31-28(20)36-11-5-6-12-36)32-29(37)27-25-15-22(7-8-26(25)33-34-27)23-14-21(16-30-17-23)19-35-9-3-2-4-10-35;29-24-14-22(17-31-27(24)36-8-10-38-11-9-36)32-28(37)26-23-13-20(4-5-25(23)33-34-26)21-12-19(15-30-16-21)18-35-6-2-1-3-7-35;35-27(30-22-6-8-25(29-17-22)34-11-4-12-34)26-23-14-20(5-7-24(23)31-32-26)21-13-19(15-28-16-21)18-33-9-2-1-3-10-33/h2*7-8,13-18H,2-6,9-12,19H2,1H3,(H,32,37)(H,33,34);4-5,12-17H,1-3,6-11,18H2,(H,32,37)(H,33,34);5-8,13-17H,1-4,9-12,18H2,(H,30,35)(H,31,32).
What are the key properties of N-[6-(azetidin-1-yl)-3-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(5-fluoro-6-morpholin-4-yl-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;bis(N-(5-methyl-6-pyrrolidin-1-yl-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide)?
N-[6-(azetidin-1-yl)-3-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(5-fluoro-6-morpholin-4-yl-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;bis(N-(5-methyl-6-pyrrolidin-1-yl-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide) has a molecular weight of 1974.43 g/mol, XLogP of 19.04, 24 rotatable bonds, 8 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(azetidin-1-yl)-3-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(5-fluoro-6-morpholin-4-yl-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;bis(N-(5-methyl-6-pyrrolidin-1-yl-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide) is sourced from PubChem (CID 157148362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).