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

C32H32FN5O4S — CID 146638104

IUPAC1-[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
SMILESC[C@@H]1c2ccccc2CCN1C(=O)c1cc(C2CC2)c2nc(-c3ccc(N4CC(C(=O)NS(C)(=O)=O)C4)cc3F)cn2c1
InChIInChI=1S/C32H32FN5O4S/c1-19-25-6-4-3-5-20(25)11-12-38(19)32(40)22-13-27(21-7-8-21)30-34-29(18-37(30)15-22)26-10-9-24(14-28(26)33)36-16-23(17-36)31(39)35-43(2,41)42/h3-6,9-10,13-15,18-19,21,23H,7-8,11-12,16-17H2,1-2H3,(H,35,39)/t19-/m1/s1
InChIKeyNWIFXJYDLVSXMR-LJQANCHMSA-N
MW601.70 g/mol
LogP4.29
Rot. Bonds6

About 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

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 (PubChem CID 146638104) has the molecular formula C32H32FN5O4S and a molecular weight of 601.70 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-[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
PubChem CID146638104
Molecular FormulaC32H32FN5O4S
Molecular Weight601.70 g/mol
Exact Mass601.22
IUPAC Name1-[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
SMILESC[C@@H]1c2ccccc2CCN1C(=O)c1cc(C2CC2)c2nc(-c3ccc(N4CC(C(=O)NS(C)(=O)=O)C4)cc3F)cn2c1
InChIInChI=1S/C32H32FN5O4S/c1-19-25-6-4-3-5-20(25)11-12-38(19)32(40)22-13-27(21-7-8-21)30-34-29(18-37(30)15-22)26-10-9-24(14-28(26)33)36-16-23(17-36)31(39)35-43(2,41)42/h3-6,9-10,13-15,18-19,21,23H,7-8,11-12,16-17H2,1-2H3,(H,35,39)/t19-/m1/s1
InChIKeyNWIFXJYDLVSXMR-LJQANCHMSA-N
XLogP4.29
TPSA104.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500601.70
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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Related Compounds

[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
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
[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-[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
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-(1-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorophenyl]piperidine-3-carboxylic acid
CID 142600091
[7-cyclopropyl-2-[4-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]-2-fluorophenyl]-[1,3]oxazolo[5,4-b]pyridin-5-yl]-[(1R)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone
CID 155724770
(3R)-N-[4-[8-cyclopropyl-6-[(1R)-1-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl]imidazo[1,2-b]pyridazin-2-yl]-3-fluorophenyl]-3-hydroxypyrrolidine-1-carboxamide
CID 146596203
[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
CID 153354405
CID 153354405

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C[C@@H]1c2ccccc2CCN1C(=O)c1cc(C2CC2)c2nc(-c3ccc(N4CC(C(=O)NS(C)(=O)=O)C4)cc3F)cn2c1.
What is the InChIKey of 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?
The InChIKey is NWIFXJYDLVSXMR-LJQANCHMSA-N. The full InChI is InChI=1S/C32H32FN5O4S/c1-19-25-6-4-3-5-20(25)11-12-38(19)32(40)22-13-27(21-7-8-21)30-34-29(18-37(30)15-22)26-10-9-24(14-28(26)33)36-16-23(17-36)31(39)35-43(2,41)42/h3-6,9-10,13-15,18-19,21,23H,7-8,11-12,16-17H2,1-2H3,(H,35,39)/t19-/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 601.70 g/mol, XLogP of 4.29, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 146638104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).