7-[(2R,4S)-2-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)-4-hydroxypyrrolidin-1-yl]-2-[(1S,2S)-2-(4-methylpyrimidin-2-yl)cyclopropyl]-1H-quinolin-4-one

C31H30N6O2 — CID 170694080

IUPAC7-[(2R,4S)-2-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)-4-hydroxypyrrolidin-1-yl]-2-[(1S,2S)-2-(4-methylpyrimidin-2-yl)cyclopropyl]-1H-quinolin-4-one
SMILESCc1ccnc([C@H]2C[C@@H]2c2cc(=O)c3ccc(N4C[C@@H](O)C[C@@H]4c4cn5cc(C6CC6)ccc5n4)cc3[nH]2)n1
InChIInChI=1S/C31H30N6O2/c1-17-8-9-32-31(33-17)24-12-23(24)26-13-29(39)22-6-5-20(10-25(22)34-26)37-15-21(38)11-28(37)27-16-36-14-19(18-2-3-18)4-7-30(36)35-27/h4-10,13-14,16,18,21,23-24,28,38H,2-3,11-12,15H2,1H3,(H,34,39)/t21-,23-,24-,28+/m0/s1
InChIKeyXFXQXPVRDVIBNL-YZIKFRCASA-N
MW518.62 g/mol
LogP4.74
Rot. Bonds5

About 7-[(2R,4S)-2-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)-4-hydroxypyrrolidin-1-yl]-2-[(1S,2S)-2-(4-methylpyrimidin-2-yl)cyclopropyl]-1H-quinolin-4-one

7-[(2R,4S)-2-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)-4-hydroxypyrrolidin-1-yl]-2-[(1S,2S)-2-(4-methylpyrimidin-2-yl)cyclopropyl]-1H-quinolin-4-one (PubChem CID 170694080) has the molecular formula C31H30N6O2 and a molecular weight of 518.62 g/mol. Its IUPAC name is 7-[(2R,4S)-2-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)-4-hydroxypyrrolidin-1-yl]-2-[(1S,2S)-2-(4-methylpyrimidin-2-yl)cyclopropyl]-1H-quinolin-4-one.

Molecular Properties

Compound Name7-[(2R,4S)-2-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)-4-hydroxypyrrolidin-1-yl]-2-[(1S,2S)-2-(4-methylpyrimidin-2-yl)cyclopropyl]-1H-quinolin-4-one
PubChem CID170694080
Molecular FormulaC31H30N6O2
Molecular Weight518.62 g/mol
Exact Mass518.24
IUPAC Name7-[(2R,4S)-2-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)-4-hydroxypyrrolidin-1-yl]-2-[(1S,2S)-2-(4-methylpyrimidin-2-yl)cyclopropyl]-1H-quinolin-4-one
SMILESCc1ccnc([C@H]2C[C@@H]2c2cc(=O)c3ccc(N4C[C@@H](O)C[C@@H]4c4cn5cc(C6CC6)ccc5n4)cc3[nH]2)n1
InChIInChI=1S/C31H30N6O2/c1-17-8-9-32-31(33-17)24-12-23(24)26-13-29(39)22-6-5-20(10-25(22)34-26)37-15-21(38)11-28(37)27-16-36-14-19(18-2-3-18)4-7-30(36)35-27/h4-10,13-14,16,18,21,23-24,28,38H,2-3,11-12,15H2,1H3,(H,34,39)/t21-,23-,24-,28+/m0/s1
InChIKeyXFXQXPVRDVIBNL-YZIKFRCASA-N
XLogP4.74
TPSA99.41 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500518.62
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 7-[(2R,4S)-2-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)-4-hydroxypyrrolidin-1-yl]-2-[(1S,2S)-2-(4-methylpyrimidin-2-yl)cyclopropyl]-1H-quinolin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-[(2R,4S)-2-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)-4-hydroxypyrrolidin-1-yl]-2-[(1S,2S)-2-(4-methylpyrimidin-2-yl)cyclopropyl]-1H-quinolin-4-one?
The IUPAC name of 7-[(2R,4S)-2-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)-4-hydroxypyrrolidin-1-yl]-2-[(1S,2S)-2-(4-methylpyrimidin-2-yl)cyclopropyl]-1H-quinolin-4-one (CID 170694080) is 7-[(2R,4S)-2-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)-4-hydroxypyrrolidin-1-yl]-2-[(1S,2S)-2-(4-methylpyrimidin-2-yl)cyclopropyl]-1H-quinolin-4-one.
What is the SMILES notation for 7-[(2R,4S)-2-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)-4-hydroxypyrrolidin-1-yl]-2-[(1S,2S)-2-(4-methylpyrimidin-2-yl)cyclopropyl]-1H-quinolin-4-one?
The canonical SMILES for 7-[(2R,4S)-2-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)-4-hydroxypyrrolidin-1-yl]-2-[(1S,2S)-2-(4-methylpyrimidin-2-yl)cyclopropyl]-1H-quinolin-4-one is Cc1ccnc([C@H]2C[C@@H]2c2cc(=O)c3ccc(N4C[C@@H](O)C[C@@H]4c4cn5cc(C6CC6)ccc5n4)cc3[nH]2)n1.
What is the InChIKey of 7-[(2R,4S)-2-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)-4-hydroxypyrrolidin-1-yl]-2-[(1S,2S)-2-(4-methylpyrimidin-2-yl)cyclopropyl]-1H-quinolin-4-one?
The InChIKey is XFXQXPVRDVIBNL-YZIKFRCASA-N. The full InChI is InChI=1S/C31H30N6O2/c1-17-8-9-32-31(33-17)24-12-23(24)26-13-29(39)22-6-5-20(10-25(22)34-26)37-15-21(38)11-28(37)27-16-36-14-19(18-2-3-18)4-7-30(36)35-27/h4-10,13-14,16,18,21,23-24,28,38H,2-3,11-12,15H2,1H3,(H,34,39)/t21-,23-,24-,28+/m0/s1.
What are the key properties of 7-[(2R,4S)-2-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)-4-hydroxypyrrolidin-1-yl]-2-[(1S,2S)-2-(4-methylpyrimidin-2-yl)cyclopropyl]-1H-quinolin-4-one?
7-[(2R,4S)-2-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)-4-hydroxypyrrolidin-1-yl]-2-[(1S,2S)-2-(4-methylpyrimidin-2-yl)cyclopropyl]-1H-quinolin-4-one has a molecular weight of 518.62 g/mol, XLogP of 4.74, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2R,4S)-2-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)-4-hydroxypyrrolidin-1-yl]-2-[(1S,2S)-2-(4-methylpyrimidin-2-yl)cyclopropyl]-1H-quinolin-4-one is sourced from PubChem (CID 170694080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).