8-[4-[4-(dimethylamino)piperidin-1-yl]phenyl]-1-[(1R,3R)-3-methoxycyclopentyl]-3-methylimidazo[4,5-c]cinnolin-2-one

C29H36N6O2 — CID 138494829

IUPAC8-[4-[4-(dimethylamino)piperidin-1-yl]phenyl]-1-[(1R,3R)-3-methoxycyclopentyl]-3-methylimidazo[4,5-c]cinnolin-2-one
SMILESCO[C@@H]1CC[C@@H](n2c(=O)n(C)c3nnc4ccc(-c5ccc(N6CCC(N(C)C)CC6)cc5)cc4c32)C1
InChIInChI=1S/C29H36N6O2/c1-32(2)21-13-15-34(16-14-21)22-8-5-19(6-9-22)20-7-12-26-25(17-20)27-28(31-30-26)33(3)29(36)35(27)23-10-11-24(18-23)37-4/h5-9,12,17,21,23-24H,10-11,13-16,18H2,1-4H3/t23-,24-/m1/s1
InChIKeyHFIYMDWYIXNLQQ-DNQXCXABSA-N
MW500.65 g/mol
LogP4.22
Rot. Bonds5

About 8-[4-[4-(dimethylamino)piperidin-1-yl]phenyl]-1-[(1R,3R)-3-methoxycyclopentyl]-3-methylimidazo[4,5-c]cinnolin-2-one

8-[4-[4-(dimethylamino)piperidin-1-yl]phenyl]-1-[(1R,3R)-3-methoxycyclopentyl]-3-methylimidazo[4,5-c]cinnolin-2-one (PubChem CID 138494829) has the molecular formula C29H36N6O2 and a molecular weight of 500.65 g/mol. Its IUPAC name is 8-[4-[4-(dimethylamino)piperidin-1-yl]phenyl]-1-[(1R,3R)-3-methoxycyclopentyl]-3-methylimidazo[4,5-c]cinnolin-2-one.

Molecular Properties

Compound Name8-[4-[4-(dimethylamino)piperidin-1-yl]phenyl]-1-[(1R,3R)-3-methoxycyclopentyl]-3-methylimidazo[4,5-c]cinnolin-2-one
PubChem CID138494829
Molecular FormulaC29H36N6O2
Molecular Weight500.65 g/mol
Exact Mass500.29
IUPAC Name8-[4-[4-(dimethylamino)piperidin-1-yl]phenyl]-1-[(1R,3R)-3-methoxycyclopentyl]-3-methylimidazo[4,5-c]cinnolin-2-one
SMILESCO[C@@H]1CC[C@@H](n2c(=O)n(C)c3nnc4ccc(-c5ccc(N6CCC(N(C)C)CC6)cc5)cc4c32)C1
InChIInChI=1S/C29H36N6O2/c1-32(2)21-13-15-34(16-14-21)22-8-5-19(6-9-22)20-7-12-26-25(17-20)27-28(31-30-26)33(3)29(36)35(27)23-10-11-24(18-23)37-4/h5-9,12,17,21,23-24H,10-11,13-16,18H2,1-4H3/t23-,24-/m1/s1
InChIKeyHFIYMDWYIXNLQQ-DNQXCXABSA-N
XLogP4.22
TPSA68.42 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.65
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

8-[6-[3-(dimethylamino)azetidin-1-yl]-3-pyridinyl]-1-[(1S,3S)-3-methoxycyclopentyl]-3-methylimidazo[4,5-c]quinolin-2-one
CID 129104397
8-[6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]-1-[(1S,3S)-3-methoxycyclohexyl]-3-methylimidazo[4,5-c]quinolin-2-one
CID 129104514
8-(6-fluoro-3-pyridinyl)-3-methyl-1-(oxan-4-yl)imidazo[4,5-c]cinnolin-2-one
CID 138490581
8-[6-[4-(dimethylamino)piperidin-1-yl]-3-pyridinyl]-4-[(1S,3S)-3-methoxycyclopentyl]-3-methyl-1H-imidazo[4,5-c]quinolin-2-one
CID 129104378
8-[6-[(1R)-1-[2-(3-azabicyclo[3.1.0]hexan-3-yl)ethoxy]ethyl]-3-pyridinyl]-3-methyl-1-(oxan-4-yl)imidazo[4,5-c]cinnolin-2-one
CID 170648295
8-[6-[4-(dimethylamino)piperidin-1-yl]-3-pyridinyl]-3-methyl-1-[(3S)-oxan-3-yl]imidazo[4,5-c]quinolin-2-one
CID 129120531
8-[6-[2-[(3S)-3-(difluoromethoxy)pyrrolidin-1-yl]ethoxymethyl]-3-pyridinyl]-3-methyl-1-(oxan-4-yl)imidazo[4,5-c]cinnolin-2-one
CID 170648191
8-bromo-7-fluoro-1-[(1S,3R)-3-methoxycyclopentyl]-3-methylimidazo[4,5-c]quinolin-2-one;8-bromo-7-fluoro-1-[(1R,3S)-3-methoxycyclopentyl]-3-methylimidazo[4,5-c]quinolin-2-one
CID 159491069
8-[6-[(1S)-1-[2-[(3S)-3-methoxypyrrolidin-1-yl]ethoxy]ethyl]-3-pyridinyl]-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one
CID 170648298
3-methyl-1-(oxetan-3-yl)imidazo[4,5-c]cinnolin-2-one
CID 175784064
3-methyl-8-[6-[(1-methylpiperidin-4-yl)oxymethyl]-3-pyridinyl]-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one
CID 170648164
N,N-dimethyl-1-[4-[1-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl]phenyl]piperidin-4-amine
CID 142398564

Frequently Asked Questions

What is the IUPAC name of 8-[4-[4-(dimethylamino)piperidin-1-yl]phenyl]-1-[(1R,3R)-3-methoxycyclopentyl]-3-methylimidazo[4,5-c]cinnolin-2-one?
The IUPAC name of 8-[4-[4-(dimethylamino)piperidin-1-yl]phenyl]-1-[(1R,3R)-3-methoxycyclopentyl]-3-methylimidazo[4,5-c]cinnolin-2-one (CID 138494829) is 8-[4-[4-(dimethylamino)piperidin-1-yl]phenyl]-1-[(1R,3R)-3-methoxycyclopentyl]-3-methylimidazo[4,5-c]cinnolin-2-one.
What is the SMILES notation for 8-[4-[4-(dimethylamino)piperidin-1-yl]phenyl]-1-[(1R,3R)-3-methoxycyclopentyl]-3-methylimidazo[4,5-c]cinnolin-2-one?
The canonical SMILES for 8-[4-[4-(dimethylamino)piperidin-1-yl]phenyl]-1-[(1R,3R)-3-methoxycyclopentyl]-3-methylimidazo[4,5-c]cinnolin-2-one is CO[C@@H]1CC[C@@H](n2c(=O)n(C)c3nnc4ccc(-c5ccc(N6CCC(N(C)C)CC6)cc5)cc4c32)C1.
What is the InChIKey of 8-[4-[4-(dimethylamino)piperidin-1-yl]phenyl]-1-[(1R,3R)-3-methoxycyclopentyl]-3-methylimidazo[4,5-c]cinnolin-2-one?
The InChIKey is HFIYMDWYIXNLQQ-DNQXCXABSA-N. The full InChI is InChI=1S/C29H36N6O2/c1-32(2)21-13-15-34(16-14-21)22-8-5-19(6-9-22)20-7-12-26-25(17-20)27-28(31-30-26)33(3)29(36)35(27)23-10-11-24(18-23)37-4/h5-9,12,17,21,23-24H,10-11,13-16,18H2,1-4H3/t23-,24-/m1/s1.
What are the key properties of 8-[4-[4-(dimethylamino)piperidin-1-yl]phenyl]-1-[(1R,3R)-3-methoxycyclopentyl]-3-methylimidazo[4,5-c]cinnolin-2-one?
8-[4-[4-(dimethylamino)piperidin-1-yl]phenyl]-1-[(1R,3R)-3-methoxycyclopentyl]-3-methylimidazo[4,5-c]cinnolin-2-one has a molecular weight of 500.65 g/mol, XLogP of 4.22, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-[4-(dimethylamino)piperidin-1-yl]phenyl]-1-[(1R,3R)-3-methoxycyclopentyl]-3-methylimidazo[4,5-c]cinnolin-2-one is sourced from PubChem (CID 138494829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).