N-[5-[7-fluoro-3-(4-piperidin-1-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-indazol-5-yl]-3-pyridinyl]cyclohexanecarboxamide

C30H31FN8O — CID 136935685

IUPACN-[5-[7-fluoro-3-(4-piperidin-1-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-indazol-5-yl]-3-pyridinyl]cyclohexanecarboxamide
SMILESO=C(Nc1cncc(-c2cc(F)c3n[nH]c(-c4nc5c(N6CCCCC6)nccc5[nH]4)c3c2)c1)C1CCCCC1
InChIInChI=1S/C30H31FN8O/c31-23-15-19(20-13-21(17-32-16-20)34-30(40)18-7-3-1-4-8-18)14-22-25(23)37-38-26(22)28-35-24-9-10-33-29(27(24)36-28)39-11-5-2-6-12-39/h9-10,13-18H,1-8,11-12H2,(H,34,40)(H,35,36)(H,37,38)
InChIKeyNPXIBMBNUHAKKQ-UHFFFAOYSA-N
MW538.63 g/mol
LogP6.21
Rot. Bonds5

About N-[5-[7-fluoro-3-(4-piperidin-1-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-indazol-5-yl]-3-pyridinyl]cyclohexanecarboxamide

N-[5-[7-fluoro-3-(4-piperidin-1-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-indazol-5-yl]-3-pyridinyl]cyclohexanecarboxamide (PubChem CID 136935685) has the molecular formula C30H31FN8O and a molecular weight of 538.63 g/mol. Its IUPAC name is N-[5-[7-fluoro-3-(4-piperidin-1-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-indazol-5-yl]-3-pyridinyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[5-[7-fluoro-3-(4-piperidin-1-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-indazol-5-yl]-3-pyridinyl]cyclohexanecarboxamide
PubChem CID136935685
Molecular FormulaC30H31FN8O
Molecular Weight538.63 g/mol
Exact Mass538.26
IUPAC NameN-[5-[7-fluoro-3-(4-piperidin-1-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-indazol-5-yl]-3-pyridinyl]cyclohexanecarboxamide
SMILESO=C(Nc1cncc(-c2cc(F)c3n[nH]c(-c4nc5c(N6CCCCC6)nccc5[nH]4)c3c2)c1)C1CCCCC1
InChIInChI=1S/C30H31FN8O/c31-23-15-19(20-13-21(17-32-16-20)34-30(40)18-7-3-1-4-8-18)14-22-25(23)37-38-26(22)28-35-24-9-10-33-29(27(24)36-28)39-11-5-2-6-12-39/h9-10,13-18H,1-8,11-12H2,(H,34,40)(H,35,36)(H,37,38)
InChIKeyNPXIBMBNUHAKKQ-UHFFFAOYSA-N
XLogP6.21
TPSA115.48 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.63
LogP ≤ 56.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[5-[7-fluoro-3-(4-piperidin-1-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-indazol-5-yl]-3-pyridinyl]cyclohexanecarboxamide with MolForge

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Related Compounds

N-[5-[3-(4-piperidin-1-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide
CID 137054936
N-[5-[7-fluoro-3-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-5-yl]-3-pyridinyl]cyclopentanecarboxamide
CID 136935779
N-[5-[7-fluoro-3-(4-pyridin-4-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-indazol-5-yl]-3-pyridinyl]cyclobutanecarboxamide
CID 136935635
N-[5-[3-[4-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclopentanecarboxamide
CID 137054942
N-[5-[7-fluoro-3-(1H-imidazo[4,5-b]pyridin-2-yl)-2H-indazol-5-yl]-3-pyridinyl]cyclopropanecarboxamide
CID 137134469
N-[5-[3-[4-(5-acetylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-7-fluoro-2H-indazol-5-yl]-3-pyridinyl]cyclopropanecarboxamide
CID 136935892
N-[5-[7-fluoro-3-[4-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-5-yl]-3-pyridinyl]-3,3-dimethylbutanamide
CID 136935744
N-[[5-[7-fluoro-3-(4-piperidin-1-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-indazol-5-yl]-3-pyridinyl]methyl]ethanamine
CID 136935675
N-[5-[6-fluoro-3-[4-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclohexanecarboxamide
CID 136936138
N-[5-[3-(4-piperidin-1-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide
CID 137039480
N-[5-[4-fluoro-3-[4-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclopentanecarboxamide
CID 136945302
N-[5-[7-fluoro-3-(7-pyridin-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-2H-indazol-5-yl]-3-pyridinyl]cyclopropanecarboxamide
CID 137134319

Frequently Asked Questions

What is the IUPAC name of N-[5-[7-fluoro-3-(4-piperidin-1-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-indazol-5-yl]-3-pyridinyl]cyclohexanecarboxamide?
The IUPAC name of N-[5-[7-fluoro-3-(4-piperidin-1-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-indazol-5-yl]-3-pyridinyl]cyclohexanecarboxamide (CID 136935685) is N-[5-[7-fluoro-3-(4-piperidin-1-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-indazol-5-yl]-3-pyridinyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[5-[7-fluoro-3-(4-piperidin-1-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-indazol-5-yl]-3-pyridinyl]cyclohexanecarboxamide?
The canonical SMILES for N-[5-[7-fluoro-3-(4-piperidin-1-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-indazol-5-yl]-3-pyridinyl]cyclohexanecarboxamide is O=C(Nc1cncc(-c2cc(F)c3n[nH]c(-c4nc5c(N6CCCCC6)nccc5[nH]4)c3c2)c1)C1CCCCC1.
What is the InChIKey of N-[5-[7-fluoro-3-(4-piperidin-1-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-indazol-5-yl]-3-pyridinyl]cyclohexanecarboxamide?
The InChIKey is NPXIBMBNUHAKKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31FN8O/c31-23-15-19(20-13-21(17-32-16-20)34-30(40)18-7-3-1-4-8-18)14-22-25(23)37-38-26(22)28-35-24-9-10-33-29(27(24)36-28)39-11-5-2-6-12-39/h9-10,13-18H,1-8,11-12H2,(H,34,40)(H,35,36)(H,37,38).
What are the key properties of N-[5-[7-fluoro-3-(4-piperidin-1-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-indazol-5-yl]-3-pyridinyl]cyclohexanecarboxamide?
N-[5-[7-fluoro-3-(4-piperidin-1-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-indazol-5-yl]-3-pyridinyl]cyclohexanecarboxamide has a molecular weight of 538.63 g/mol, XLogP of 6.21, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[7-fluoro-3-(4-piperidin-1-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-indazol-5-yl]-3-pyridinyl]cyclohexanecarboxamide is sourced from PubChem (CID 136935685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).