[2-(2-fluoro-4-pyrrolidin-1-ylphenyl)-8-pyrrolidin-1-ylimidazo[1,2-a]pyridin-6-yl]-[(1R)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone

C32H34FN5O — CID 146638162

IUPAC[2-(2-fluoro-4-pyrrolidin-1-ylphenyl)-8-pyrrolidin-1-ylimidazo[1,2-a]pyridin-6-yl]-[(1R)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone
SMILESC[C@@H]1c2ccccc2CCN1C(=O)c1cc(N2CCCC2)c2nc(-c3ccc(N4CCCC4)cc3F)cn2c1
InChIInChI=1S/C32H34FN5O/c1-22-26-9-3-2-8-23(26)12-17-38(22)32(39)24-18-30(36-15-6-7-16-36)31-34-29(21-37(31)20-24)27-11-10-25(19-28(27)33)35-13-4-5-14-35/h2-3,8-11,18-22H,4-7,12-17H2,1H3/t22-/m1/s1
InChIKeyFEGHQAMBCHOPHL-JOCHJYFZSA-N
MW523.66 g/mol
LogP6.10
Rot. Bonds4

About [2-(2-fluoro-4-pyrrolidin-1-ylphenyl)-8-pyrrolidin-1-ylimidazo[1,2-a]pyridin-6-yl]-[(1R)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone

[2-(2-fluoro-4-pyrrolidin-1-ylphenyl)-8-pyrrolidin-1-ylimidazo[1,2-a]pyridin-6-yl]-[(1R)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone (PubChem CID 146638162) has the molecular formula C32H34FN5O and a molecular weight of 523.66 g/mol. Its IUPAC name is [2-(2-fluoro-4-pyrrolidin-1-ylphenyl)-8-pyrrolidin-1-ylimidazo[1,2-a]pyridin-6-yl]-[(1R)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone.

Molecular Properties

Compound Name[2-(2-fluoro-4-pyrrolidin-1-ylphenyl)-8-pyrrolidin-1-ylimidazo[1,2-a]pyridin-6-yl]-[(1R)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone
PubChem CID146638162
Molecular FormulaC32H34FN5O
Molecular Weight523.66 g/mol
Exact Mass523.27
IUPAC Name[2-(2-fluoro-4-pyrrolidin-1-ylphenyl)-8-pyrrolidin-1-ylimidazo[1,2-a]pyridin-6-yl]-[(1R)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone
SMILESC[C@@H]1c2ccccc2CCN1C(=O)c1cc(N2CCCC2)c2nc(-c3ccc(N4CCCC4)cc3F)cn2c1
InChIInChI=1S/C32H34FN5O/c1-22-26-9-3-2-8-23(26)12-17-38(22)32(39)24-18-30(36-15-6-7-16-36)31-34-29(21-37(31)20-24)27-11-10-25(19-28(27)33)35-13-4-5-14-35/h2-3,8-11,18-22H,4-7,12-17H2,1H3/t22-/m1/s1
InChIKeyFEGHQAMBCHOPHL-JOCHJYFZSA-N
XLogP6.10
TPSA44.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.66
LogP ≤ 56.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [2-(2-fluoro-4-pyrrolidin-1-ylphenyl)-8-pyrrolidin-1-ylimidazo[1,2-a]pyridin-6-yl]-[(1R)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone with MolForge

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Related Compounds

1-[4-[8-cyclopropyl-6-[(1R)-1-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl]imidazo[1,2-a]pyridin-2-yl]-3-fluorophenyl]-N-methylsulfonylazetidine-3-carboxamide
CID 146638104
[2-(4-bromo-2-fluorophenyl)-8-(dimethylamino)imidazo[1,2-a]pyridin-6-yl]-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 146638471
1-[4-[8-cyclopropyl-6-[(1R)-1-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl]imidazo[1,2-a]pyridin-2-yl]-3-fluorophenyl]pyrazole-4-carboxamide
CID 156778434
[8-cyclopropyl-2-(2-fluoro-6-pyrrolidin-1-yl-3-pyridinyl)imidazo[1,2-a]pyridin-6-yl]-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 146638106
ethyl (E)-3-[4-[8-cyclopropyl-6-(1-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)imidazo[1,2-a]pyridin-2-yl]-3-fluorophenyl]prop-2-enoate
CID 146638146
[7-butyl-2-(2-fluoro-4-pyrrolidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]-[(1R)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone
CID 166805253
1-[4-[7-cyclopropyl-5-(1-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorophenyl]piperidine-3-carboxylic acid
CID 142600091
1-[4-[7-cyclopropyl-5-[(1R)-1-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl]pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorophenyl]piperidine-3-carboxylic acid
CID 142600076
1-[4-[7-cyclopropyl-5-[(1R)-1-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl]pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorophenyl]azetidine-3-carboxamide
CID 142600224
(3S)-1-[3-fluoro-4-[5-[(1R)-1-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl]-7-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-2-yl]phenyl]pyrrolidine-3-carboxylic acid
CID 170009504
[7-cyclopropyl-2-[2-fluoro-4-[(3S)-3-methylpyrrolidin-1-yl]phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-[(1R)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone
CID 155312713
[2-(2-fluorophenyl)-8-pyridin-3-ylimidazo[1,2-a]pyridin-6-yl]-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
CID 146638757

Frequently Asked Questions

What is the IUPAC name of [2-(2-fluoro-4-pyrrolidin-1-ylphenyl)-8-pyrrolidin-1-ylimidazo[1,2-a]pyridin-6-yl]-[(1R)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone?
The IUPAC name of [2-(2-fluoro-4-pyrrolidin-1-ylphenyl)-8-pyrrolidin-1-ylimidazo[1,2-a]pyridin-6-yl]-[(1R)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone (CID 146638162) is [2-(2-fluoro-4-pyrrolidin-1-ylphenyl)-8-pyrrolidin-1-ylimidazo[1,2-a]pyridin-6-yl]-[(1R)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone.
What is the SMILES notation for [2-(2-fluoro-4-pyrrolidin-1-ylphenyl)-8-pyrrolidin-1-ylimidazo[1,2-a]pyridin-6-yl]-[(1R)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone?
The canonical SMILES for [2-(2-fluoro-4-pyrrolidin-1-ylphenyl)-8-pyrrolidin-1-ylimidazo[1,2-a]pyridin-6-yl]-[(1R)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone is C[C@@H]1c2ccccc2CCN1C(=O)c1cc(N2CCCC2)c2nc(-c3ccc(N4CCCC4)cc3F)cn2c1.
What is the InChIKey of [2-(2-fluoro-4-pyrrolidin-1-ylphenyl)-8-pyrrolidin-1-ylimidazo[1,2-a]pyridin-6-yl]-[(1R)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone?
The InChIKey is FEGHQAMBCHOPHL-JOCHJYFZSA-N. The full InChI is InChI=1S/C32H34FN5O/c1-22-26-9-3-2-8-23(26)12-17-38(22)32(39)24-18-30(36-15-6-7-16-36)31-34-29(21-37(31)20-24)27-11-10-25(19-28(27)33)35-13-4-5-14-35/h2-3,8-11,18-22H,4-7,12-17H2,1H3/t22-/m1/s1.
What are the key properties of [2-(2-fluoro-4-pyrrolidin-1-ylphenyl)-8-pyrrolidin-1-ylimidazo[1,2-a]pyridin-6-yl]-[(1R)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone?
[2-(2-fluoro-4-pyrrolidin-1-ylphenyl)-8-pyrrolidin-1-ylimidazo[1,2-a]pyridin-6-yl]-[(1R)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone has a molecular weight of 523.66 g/mol, XLogP of 6.10, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-fluoro-4-pyrrolidin-1-ylphenyl)-8-pyrrolidin-1-ylimidazo[1,2-a]pyridin-6-yl]-[(1R)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone is sourced from PubChem (CID 146638162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).