8-[6-[3-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-pyridinyl]-7-fluoro-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one

C25H30FN7O — CID 146530575

IUPAC8-[6-[3-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-pyridinyl]-7-fluoro-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one
SMILESCC(C)n1c(=O)n(C)c2nnc3cc(F)c(-c4ccc(N5CCC(CN(C)C)C5)nc4)cc3c21
InChIInChI=1S/C25H30FN7O/c1-15(2)33-23-19-10-18(20(26)11-21(19)28-29-24(23)31(5)25(33)34)17-6-7-22(27-12-17)32-9-8-16(14-32)13-30(3)4/h6-7,10-12,15-16H,8-9,13-14H2,1-5H3
InChIKeyAMVIOMPGDDKABN-UHFFFAOYSA-N
MW463.56 g/mol
LogP3.45
Rot. Bonds5

About 8-[6-[3-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-pyridinyl]-7-fluoro-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one

8-[6-[3-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-pyridinyl]-7-fluoro-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one (PubChem CID 146530575) has the molecular formula C25H30FN7O and a molecular weight of 463.56 g/mol. Its IUPAC name is 8-[6-[3-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-pyridinyl]-7-fluoro-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one.

Molecular Properties

Compound Name8-[6-[3-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-pyridinyl]-7-fluoro-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one
PubChem CID146530575
Molecular FormulaC25H30FN7O
Molecular Weight463.56 g/mol
Exact Mass463.25
IUPAC Name8-[6-[3-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-pyridinyl]-7-fluoro-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one
SMILESCC(C)n1c(=O)n(C)c2nnc3cc(F)c(-c4ccc(N5CCC(CN(C)C)C5)nc4)cc3c21
InChIInChI=1S/C25H30FN7O/c1-15(2)33-23-19-10-18(20(26)11-21(19)28-29-24(23)31(5)25(33)34)17-6-7-22(27-12-17)32-9-8-16(14-32)13-30(3)4/h6-7,10-12,15-16H,8-9,13-14H2,1-5H3
InChIKeyAMVIOMPGDDKABN-UHFFFAOYSA-N
XLogP3.45
TPSA72.08 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.56
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 8-[6-[3-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-pyridinyl]-7-fluoro-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one with MolForge

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Related Compounds

8-[6-[(1R)-1-[2-(3-azabicyclo[3.1.0]hexan-3-yl)ethoxy]ethyl]-3-pyridinyl]-7-fluoro-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one
CID 170648365
7-fluoro-3-methyl-8-[6-[3-(oxan-2-yloxy)propoxy]-3-pyridinyl]-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one
CID 146530799
8-[6-[2-(3,3-dimethylpyrrolidin-1-yl)ethoxymethyl]-3-pyridinyl]-7-fluoro-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one
CID 170648158
7-fluoro-3-methyl-8-[6-[3-(2-oxa-6-azaspiro[3.3]heptan-6-yl)propoxy]-3-pyridinyl]-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one
CID 151524519
8-[6-[4-(dimethylamino)piperidin-1-yl]-3-pyridinyl]-7-fluoro-3-methyl-4-propan-2-yl-1H-imidazo[4,5-c]quinolin-2-one
CID 129104387
3-methyl-8-[6-[(1-methylpiperidin-3-yl)oxymethyl]-3-pyridinyl]-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one
CID 170648203
3,7-dimethyl-8-[6-(3-piperidin-1-ylpropoxy)-3-pyridinyl]-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one
CID 138494910
8-[6-[(1R)-1-[2-(4-fluoropiperidin-1-yl)ethoxy]ethyl]-3-pyridinyl]-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one
CID 170648247
8-[6-[4-(dimethylamino)piperidin-1-yl]-3-pyridinyl]-7-fluoro-3-methyl-1-[(3S)-oxan-3-yl]imidazo[4,5-c]quinolin-2-one
CID 129104509
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
8-[6-[1-[2-(4,4-dimethylpiperidin-1-yl)ethoxy]-2,2,2-trifluoroethyl]-3-pyridinyl]-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one
CID 170648318
2-[1-[5-(3-methyl-2-oxo-1-propan-2-ylimidazo[4,5-c]cinnolin-8-yl)-2-pyridinyl]ethoxy]acetic acid
CID 175512334

Frequently Asked Questions

What is the IUPAC name of 8-[6-[3-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-pyridinyl]-7-fluoro-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one?
The IUPAC name of 8-[6-[3-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-pyridinyl]-7-fluoro-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one (CID 146530575) is 8-[6-[3-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-pyridinyl]-7-fluoro-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one.
What is the SMILES notation for 8-[6-[3-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-pyridinyl]-7-fluoro-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one?
The canonical SMILES for 8-[6-[3-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-pyridinyl]-7-fluoro-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one is CC(C)n1c(=O)n(C)c2nnc3cc(F)c(-c4ccc(N5CCC(CN(C)C)C5)nc4)cc3c21.
What is the InChIKey of 8-[6-[3-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-pyridinyl]-7-fluoro-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one?
The InChIKey is AMVIOMPGDDKABN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30FN7O/c1-15(2)33-23-19-10-18(20(26)11-21(19)28-29-24(23)31(5)25(33)34)17-6-7-22(27-12-17)32-9-8-16(14-32)13-30(3)4/h6-7,10-12,15-16H,8-9,13-14H2,1-5H3.
What are the key properties of 8-[6-[3-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-pyridinyl]-7-fluoro-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one?
8-[6-[3-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-pyridinyl]-7-fluoro-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one has a molecular weight of 463.56 g/mol, XLogP of 3.45, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[6-[3-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-pyridinyl]-7-fluoro-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one is sourced from PubChem (CID 146530575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).