[4-[4-[[3-(2,3-difluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylbenzoyl]piperazin-1-yl]-[(2S,4R)-4-hydroxy-4-methylpyrrolidin-2-yl]methanone

C31H33F2N7O4 — CID 154943158

IUPAC[4-[4-[[3-(2,3-difluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylbenzoyl]piperazin-1-yl]-[(2S,4R)-4-hydroxy-4-methylpyrrolidin-2-yl]methanone
SMILESCOc1ccc(-c2cnc3c(Nc4ccc(C(=O)N5CCN(C(=O)[C@@H]6C[C@@](C)(O)CN6)CC5)c(C)c4)nccn23)c(F)c1F
InChIInChI=1S/C31H33F2N7O4/c1-18-14-19(4-5-20(18)29(41)38-10-12-39(13-11-38)30(42)22-15-31(2,43)17-36-22)37-27-28-35-16-23(40(28)9-8-34-27)21-6-7-24(44-3)26(33)25(21)32/h4-9,14,16,22,36,43H,10-13,15,17H2,1-3H3,(H,34,37)/t22-,31+/m0/s1
InChIKeyPAUXECAHFAUDQV-WKRVVKTRSA-N
MW605.65 g/mol
LogP3.13
Rot. Bonds6

About [4-[4-[[3-(2,3-difluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylbenzoyl]piperazin-1-yl]-[(2S,4R)-4-hydroxy-4-methylpyrrolidin-2-yl]methanone

[4-[4-[[3-(2,3-difluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylbenzoyl]piperazin-1-yl]-[(2S,4R)-4-hydroxy-4-methylpyrrolidin-2-yl]methanone (PubChem CID 154943158) has the molecular formula C31H33F2N7O4 and a molecular weight of 605.65 g/mol. Its IUPAC name is [4-[4-[[3-(2,3-difluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylbenzoyl]piperazin-1-yl]-[(2S,4R)-4-hydroxy-4-methylpyrrolidin-2-yl]methanone.

Molecular Properties

Compound Name[4-[4-[[3-(2,3-difluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylbenzoyl]piperazin-1-yl]-[(2S,4R)-4-hydroxy-4-methylpyrrolidin-2-yl]methanone
PubChem CID154943158
Molecular FormulaC31H33F2N7O4
Molecular Weight605.65 g/mol
Exact Mass605.26
IUPAC Name[4-[4-[[3-(2,3-difluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylbenzoyl]piperazin-1-yl]-[(2S,4R)-4-hydroxy-4-methylpyrrolidin-2-yl]methanone
SMILESCOc1ccc(-c2cnc3c(Nc4ccc(C(=O)N5CCN(C(=O)[C@@H]6C[C@@](C)(O)CN6)CC5)c(C)c4)nccn23)c(F)c1F
InChIInChI=1S/C31H33F2N7O4/c1-18-14-19(4-5-20(18)29(41)38-10-12-39(13-11-38)30(42)22-15-31(2,43)17-36-22)37-27-28-35-16-23(40(28)9-8-34-27)21-6-7-24(44-3)26(33)25(21)32/h4-9,14,16,22,36,43H,10-13,15,17H2,1-3H3,(H,34,37)/t22-,31+/m0/s1
InChIKeyPAUXECAHFAUDQV-WKRVVKTRSA-N
XLogP3.13
TPSA124.33 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500605.65
LogP ≤ 53.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze [4-[4-[[3-(2,3-difluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylbenzoyl]piperazin-1-yl]-[(2S,4R)-4-hydroxy-4-methylpyrrolidin-2-yl]methanone with MolForge

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

Launch Full Analysis

Related Compounds

2-[2,3-difluoro-4-[8-[4-[4-[(2S,4S)-4-hydroxy-4-methylpyrrolidine-2-carbonyl]piperazine-1-carbonyl]-3-methylanilino]imidazo[1,2-a]pyrazin-3-yl]phenoxy]acetonitrile
CID 154943427
N-[3-[[4-[[3-(2,3-difluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylbenzoyl]amino]propyl]-4-hydroxy-4-methylpyrrolidine-2-carboxamide
CID 166579757
[(1R,2S,5S)-3-azabicyclo[3.1.0]hexan-2-yl]-[4-[4-[[3-(2,3-difluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylbenzoyl]piperazin-1-yl]methanone
CID 156782118
[4-[4-[[3-(2,3-difluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylbenzoyl]piperazin-1-yl]-[(3R)-pyrrolidin-3-yl]methanone;hydrochloride
CID 175841216
[4-[4-[[3-(2,3-difluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylbenzoyl]piperazin-1-yl]-[(2S,4R)-4-hydroxy-1-methylpyrrolidin-2-yl]methanone
CID 162384548
[4-[4-[[3-(3-chloro-2-fluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylbenzoyl]piperazin-1-yl]-[(4R)-4-hydroxypyrrolidin-2-yl]methanone
CID 147359083
1-[4-[4-[[3-(2-chloro-3-fluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylbenzoyl]piperazin-1-yl]ethanone
CID 147209348
[(2R)-azetidin-2-yl]-[4-[4-[[3-(3-fluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylbenzoyl]piperazin-1-yl]methanone
CID 154943693
4-[[3-(2,3-difluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylbenzoic acid;methyl 4-[[3-(2,3-difluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylbenzoate
CID 175887967
N-[3-[[4-[[3-[4-(cyanomethoxy)-2,3-difluorophenyl]imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylbenzoyl]amino]propyl]-4-hydroxy-4-methylpyrrolidine-2-carboxamide
CID 166579768
N-(3-acetamidocyclobutyl)-4-[[3-(2,3-difluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylbenzamide
CID 166892828
2-[2,3-difluoro-4-[8-[4-[4-(4-hydroxypiperidine-4-carbonyl)piperazine-1-carbonyl]-3-methylanilino]imidazo[1,2-a]pyrazin-3-yl]phenoxy]acetonitrile
CID 151662205

Frequently Asked Questions

What is the IUPAC name of [4-[4-[[3-(2,3-difluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylbenzoyl]piperazin-1-yl]-[(2S,4R)-4-hydroxy-4-methylpyrrolidin-2-yl]methanone?
The IUPAC name of [4-[4-[[3-(2,3-difluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylbenzoyl]piperazin-1-yl]-[(2S,4R)-4-hydroxy-4-methylpyrrolidin-2-yl]methanone (CID 154943158) is [4-[4-[[3-(2,3-difluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylbenzoyl]piperazin-1-yl]-[(2S,4R)-4-hydroxy-4-methylpyrrolidin-2-yl]methanone.
What is the SMILES notation for [4-[4-[[3-(2,3-difluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylbenzoyl]piperazin-1-yl]-[(2S,4R)-4-hydroxy-4-methylpyrrolidin-2-yl]methanone?
The canonical SMILES for [4-[4-[[3-(2,3-difluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylbenzoyl]piperazin-1-yl]-[(2S,4R)-4-hydroxy-4-methylpyrrolidin-2-yl]methanone is COc1ccc(-c2cnc3c(Nc4ccc(C(=O)N5CCN(C(=O)[C@@H]6C[C@@](C)(O)CN6)CC5)c(C)c4)nccn23)c(F)c1F.
What is the InChIKey of [4-[4-[[3-(2,3-difluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylbenzoyl]piperazin-1-yl]-[(2S,4R)-4-hydroxy-4-methylpyrrolidin-2-yl]methanone?
The InChIKey is PAUXECAHFAUDQV-WKRVVKTRSA-N. The full InChI is InChI=1S/C31H33F2N7O4/c1-18-14-19(4-5-20(18)29(41)38-10-12-39(13-11-38)30(42)22-15-31(2,43)17-36-22)37-27-28-35-16-23(40(28)9-8-34-27)21-6-7-24(44-3)26(33)25(21)32/h4-9,14,16,22,36,43H,10-13,15,17H2,1-3H3,(H,34,37)/t22-,31+/m0/s1.
What are the key properties of [4-[4-[[3-(2,3-difluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylbenzoyl]piperazin-1-yl]-[(2S,4R)-4-hydroxy-4-methylpyrrolidin-2-yl]methanone?
[4-[4-[[3-(2,3-difluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylbenzoyl]piperazin-1-yl]-[(2S,4R)-4-hydroxy-4-methylpyrrolidin-2-yl]methanone has a molecular weight of 605.65 g/mol, XLogP of 3.13, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-[[3-(2,3-difluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylbenzoyl]piperazin-1-yl]-[(2S,4R)-4-hydroxy-4-methylpyrrolidin-2-yl]methanone is sourced from PubChem (CID 154943158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).