N-[4-(3H-imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9-yl]-2-methyl-1,5,6,7,8,8a-hexahydroquinoline-5-carboxamide

C30H27N5O — CID 143330791

IUPACN-[4-(3H-imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9-yl]-2-methyl-1,5,6,7,8,8a-hexahydroquinoline-5-carboxamide
SMILESCC1=CC=C2C(CCCC2C(=O)NC2c3ccccc3-c3c(-c4nc5ccncc5[nH]4)cccc32)N1
InChIInChI=1S/C30H27N5O/c1-17-12-13-18-21(8-5-11-24(18)32-17)30(36)35-28-20-7-3-2-6-19(20)27-22(28)9-4-10-23(27)29-33-25-14-15-31-16-26(25)34-29/h2-4,6-7,9-10,12-16,21,24,28,32H,5,8,11H2,1H3,(H,33,34)(H,35,36)
InChIKeyOIOMYFPFQPMELT-UHFFFAOYSA-N
MW473.58 g/mol
LogP5.41
Rot. Bonds3

About N-[4-(3H-imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9-yl]-2-methyl-1,5,6,7,8,8a-hexahydroquinoline-5-carboxamide

N-[4-(3H-imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9-yl]-2-methyl-1,5,6,7,8,8a-hexahydroquinoline-5-carboxamide (PubChem CID 143330791) has the molecular formula C30H27N5O and a molecular weight of 473.58 g/mol. Its IUPAC name is N-[4-(3H-imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9-yl]-2-methyl-1,5,6,7,8,8a-hexahydroquinoline-5-carboxamide.

Molecular Properties

Compound NameN-[4-(3H-imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9-yl]-2-methyl-1,5,6,7,8,8a-hexahydroquinoline-5-carboxamide
PubChem CID143330791
Molecular FormulaC30H27N5O
Molecular Weight473.58 g/mol
Exact Mass473.22
IUPAC NameN-[4-(3H-imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9-yl]-2-methyl-1,5,6,7,8,8a-hexahydroquinoline-5-carboxamide
SMILESCC1=CC=C2C(CCCC2C(=O)NC2c3ccccc3-c3c(-c4nc5ccncc5[nH]4)cccc32)N1
InChIInChI=1S/C30H27N5O/c1-17-12-13-18-21(8-5-11-24(18)32-17)30(36)35-28-20-7-3-2-6-19(20)27-22(28)9-4-10-23(27)29-33-25-14-15-31-16-26(25)34-29/h2-4,6-7,9-10,12-16,21,24,28,32H,5,8,11H2,1H3,(H,33,34)(H,35,36)
InChIKeyOIOMYFPFQPMELT-UHFFFAOYSA-N
XLogP5.41
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.58
LogP ≤ 55.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[4-(3H-imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9-yl]-2-methyl-1,5,6,7,8,8a-hexahydroquinoline-5-carboxamide with MolForge

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Related Compounds

N-[4-(3H-imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9-yl]pyridazine-4-carboxamide
CID 72531299
N-[(9R)-4-(3H-imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9-yl]-2-methyl-6-oxo-1H-pyridine-4-carboxamide
CID 90843396
N-[(9R)-4-(3H-imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9-yl]-2-(4-methoxyphenyl)acetamide
CID 90910316
N-[4-(3H-imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9-yl]-2-methylquinoline-5-carboxamide
CID 59208238
N-[4-(3H-imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9-yl]-1-oxo-2,3-dihydroindene-4-carboxamide
CID 59208239
2-amino-N-[4-(3H-imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9-yl]pyridine-4-carboxamide
CID 11978794
2-(6-chloro-3-pyridinyl)-N-[4-(3H-imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9-yl]acetamide
CID 59208256
N-[4-(3H-imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9-yl]-1H-pyrazole-4-carboxamide;2,2,2-trifluoroacetic acid
CID 11978558
N-[4-(3H-imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9-yl]quinoline-5-carbothioamide;2,2,2-trifluoroacetic acid
CID 11978674
N-[[4-(3H-imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9-yl]methylidene]hydroxylamine
CID 174548407
N-[4-(1H-benzimidazol-2-yl)-9H-fluoren-9-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide
CID 15942612
4-(3H-imidazo[4,5-c]pyridin-2-yl)-N-(1-methylpyrrolo[2,3-b]pyridin-3-yl)oxy-9H-fluoren-9-amine
CID 143330735

Frequently Asked Questions

What is the IUPAC name of N-[4-(3H-imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9-yl]-2-methyl-1,5,6,7,8,8a-hexahydroquinoline-5-carboxamide?
The IUPAC name of N-[4-(3H-imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9-yl]-2-methyl-1,5,6,7,8,8a-hexahydroquinoline-5-carboxamide (CID 143330791) is N-[4-(3H-imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9-yl]-2-methyl-1,5,6,7,8,8a-hexahydroquinoline-5-carboxamide.
What is the SMILES notation for N-[4-(3H-imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9-yl]-2-methyl-1,5,6,7,8,8a-hexahydroquinoline-5-carboxamide?
The canonical SMILES for N-[4-(3H-imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9-yl]-2-methyl-1,5,6,7,8,8a-hexahydroquinoline-5-carboxamide is CC1=CC=C2C(CCCC2C(=O)NC2c3ccccc3-c3c(-c4nc5ccncc5[nH]4)cccc32)N1.
What is the InChIKey of N-[4-(3H-imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9-yl]-2-methyl-1,5,6,7,8,8a-hexahydroquinoline-5-carboxamide?
The InChIKey is OIOMYFPFQPMELT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27N5O/c1-17-12-13-18-21(8-5-11-24(18)32-17)30(36)35-28-20-7-3-2-6-19(20)27-22(28)9-4-10-23(27)29-33-25-14-15-31-16-26(25)34-29/h2-4,6-7,9-10,12-16,21,24,28,32H,5,8,11H2,1H3,(H,33,34)(H,35,36).
What are the key properties of N-[4-(3H-imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9-yl]-2-methyl-1,5,6,7,8,8a-hexahydroquinoline-5-carboxamide?
N-[4-(3H-imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9-yl]-2-methyl-1,5,6,7,8,8a-hexahydroquinoline-5-carboxamide has a molecular weight of 473.58 g/mol, XLogP of 5.41, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3H-imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9-yl]-2-methyl-1,5,6,7,8,8a-hexahydroquinoline-5-carboxamide is sourced from PubChem (CID 143330791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).