methyl N-[(1R,3R)-3-[6-[[8-(difluoromethyl)quinolin-2-yl]amino]-3-methyl-2-oxoimidazo[4,5-c]pyridin-1-yl]cyclopentyl]carbamate

C24H24F2N6O3 — CID 177288243

IUPACmethyl N-[(1R,3R)-3-[6-[[8-(difluoromethyl)quinolin-2-yl]amino]-3-methyl-2-oxoimidazo[4,5-c]pyridin-1-yl]cyclopentyl]carbamate
SMILESCOC(=O)N[C@@H]1CC[C@@H](n2c(=O)n(C)c3cnc(Nc4ccc5cccc(C(F)F)c5n4)cc32)C1
InChIInChI=1S/C24H24F2N6O3/c1-31-18-12-27-20(29-19-9-6-13-4-3-5-16(22(25)26)21(13)30-19)11-17(18)32(24(31)34)15-8-7-14(10-15)28-23(33)35-2/h3-6,9,11-12,14-15,22H,7-8,10H2,1-2H3,(H,28,33)(H,27,29,30)/t14-,15-/m1/s1
InChIKeyWBRYNXXLBKCPPD-HUUCEWRRSA-N
MW482.49 g/mol
LogP4.41
Rot. Bonds5

About methyl N-[(1R,3R)-3-[6-[[8-(difluoromethyl)quinolin-2-yl]amino]-3-methyl-2-oxoimidazo[4,5-c]pyridin-1-yl]cyclopentyl]carbamate

methyl N-[(1R,3R)-3-[6-[[8-(difluoromethyl)quinolin-2-yl]amino]-3-methyl-2-oxoimidazo[4,5-c]pyridin-1-yl]cyclopentyl]carbamate (PubChem CID 177288243) has the molecular formula C24H24F2N6O3 and a molecular weight of 482.49 g/mol. Its IUPAC name is methyl N-[(1R,3R)-3-[6-[[8-(difluoromethyl)quinolin-2-yl]amino]-3-methyl-2-oxoimidazo[4,5-c]pyridin-1-yl]cyclopentyl]carbamate.

Molecular Properties

Compound Namemethyl N-[(1R,3R)-3-[6-[[8-(difluoromethyl)quinolin-2-yl]amino]-3-methyl-2-oxoimidazo[4,5-c]pyridin-1-yl]cyclopentyl]carbamate
PubChem CID177288243
Molecular FormulaC24H24F2N6O3
Molecular Weight482.49 g/mol
Exact Mass482.19
IUPAC Namemethyl N-[(1R,3R)-3-[6-[[8-(difluoromethyl)quinolin-2-yl]amino]-3-methyl-2-oxoimidazo[4,5-c]pyridin-1-yl]cyclopentyl]carbamate
SMILESCOC(=O)N[C@@H]1CC[C@@H](n2c(=O)n(C)c3cnc(Nc4ccc5cccc(C(F)F)c5n4)cc32)C1
InChIInChI=1S/C24H24F2N6O3/c1-31-18-12-27-20(29-19-9-6-13-4-3-5-16(22(25)26)21(13)30-19)11-17(18)32(24(31)34)15-8-7-14(10-15)28-23(33)35-2/h3-6,9,11-12,14-15,22H,7-8,10H2,1-2H3,(H,28,33)(H,27,29,30)/t14-,15-/m1/s1
InChIKeyWBRYNXXLBKCPPD-HUUCEWRRSA-N
XLogP4.41
TPSA103.07 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.49
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze methyl N-[(1R,3R)-3-[6-[[8-(difluoromethyl)quinolin-2-yl]amino]-3-methyl-2-oxoimidazo[4,5-c]pyridin-1-yl]cyclopentyl]carbamate with MolForge

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Launch Full Analysis

Related Compounds

9-[(3~{R},4~{R})-4-fluoranylpyrrolidin-3-yl]-7-methyl-2-[(7-methylquinolin-6-yl)amino]purin-8-one
CID 146273897
7-Methyl-2-[(7-methylquinolin-6-yl)amino]-9-piperidin-4-ylpurin-8-one
CID 146275593
CID 153354202
CID 153354202
ATM Inhibitor-2
CID 163286323
1-[4-[1-(2-Methoxyethyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]phenyl]-3-piperidin-4-ylurea
CID 163286373
(E)-N-Methyl-N-[(1-methyl-1H-indol-2-ylmethyl)]-3-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)acrylamide
CID 6539893
1-Pyrazin-2-yl-3-(6-trifluoromethyl-quinolin-4-yl)-urea
CID 24858859
9-[(3R,4R)-4-fluoro-1-methylpyrrolidin-3-yl]-7-methyl-2-[(7-methylquinolin-6-yl)amino]purin-8-one
CID 168275101
1-(1-Methylindol-4-yl)-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]urea
CID 46189876
1-((2-(4-Methylpiperidin-1-yl)-6-(trifluoromethyl)pyridin-3-yl)methyl)-3-(quinolin-3-yl)urea
CID 71237213
1-[[2-(4-Methylpiperidin-1-yl)-6-(trifluoromethyl)pyridin-3-yl]methyl]-3-quinolin-8-ylurea
CID 71237407
8-(6-Aminopyridin-3-yl)-3-methyl-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-2-one
CID 89509300

Frequently Asked Questions

What is the IUPAC name of methyl N-[(1R,3R)-3-[6-[[8-(difluoromethyl)quinolin-2-yl]amino]-3-methyl-2-oxoimidazo[4,5-c]pyridin-1-yl]cyclopentyl]carbamate?
The IUPAC name of methyl N-[(1R,3R)-3-[6-[[8-(difluoromethyl)quinolin-2-yl]amino]-3-methyl-2-oxoimidazo[4,5-c]pyridin-1-yl]cyclopentyl]carbamate (CID 177288243) is methyl N-[(1R,3R)-3-[6-[[8-(difluoromethyl)quinolin-2-yl]amino]-3-methyl-2-oxoimidazo[4,5-c]pyridin-1-yl]cyclopentyl]carbamate.
What is the SMILES notation for methyl N-[(1R,3R)-3-[6-[[8-(difluoromethyl)quinolin-2-yl]amino]-3-methyl-2-oxoimidazo[4,5-c]pyridin-1-yl]cyclopentyl]carbamate?
The canonical SMILES for methyl N-[(1R,3R)-3-[6-[[8-(difluoromethyl)quinolin-2-yl]amino]-3-methyl-2-oxoimidazo[4,5-c]pyridin-1-yl]cyclopentyl]carbamate is COC(=O)N[C@@H]1CC[C@@H](n2c(=O)n(C)c3cnc(Nc4ccc5cccc(C(F)F)c5n4)cc32)C1.
What is the InChIKey of methyl N-[(1R,3R)-3-[6-[[8-(difluoromethyl)quinolin-2-yl]amino]-3-methyl-2-oxoimidazo[4,5-c]pyridin-1-yl]cyclopentyl]carbamate?
The InChIKey is WBRYNXXLBKCPPD-HUUCEWRRSA-N. The full InChI is InChI=1S/C24H24F2N6O3/c1-31-18-12-27-20(29-19-9-6-13-4-3-5-16(22(25)26)21(13)30-19)11-17(18)32(24(31)34)15-8-7-14(10-15)28-23(33)35-2/h3-6,9,11-12,14-15,22H,7-8,10H2,1-2H3,(H,28,33)(H,27,29,30)/t14-,15-/m1/s1.
What are the key properties of methyl N-[(1R,3R)-3-[6-[[8-(difluoromethyl)quinolin-2-yl]amino]-3-methyl-2-oxoimidazo[4,5-c]pyridin-1-yl]cyclopentyl]carbamate?
methyl N-[(1R,3R)-3-[6-[[8-(difluoromethyl)quinolin-2-yl]amino]-3-methyl-2-oxoimidazo[4,5-c]pyridin-1-yl]cyclopentyl]carbamate has a molecular weight of 482.49 g/mol, XLogP of 4.41, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(1R,3R)-3-[6-[[8-(difluoromethyl)quinolin-2-yl]amino]-3-methyl-2-oxoimidazo[4,5-c]pyridin-1-yl]cyclopentyl]carbamate is sourced from PubChem (CID 177288243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).