1-[3-[[5-[3-(2,2-difluoroethyl)-2-methylimidazo[4,5-b]pyrazin-5-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-1-methylcyclobutyl]pyrrolidin-2-one

C23H25F2N9O — CID 168773371

IUPAC1-[3-[[5-[3-(2,2-difluoroethyl)-2-methylimidazo[4,5-b]pyrazin-5-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-1-methylcyclobutyl]pyrrolidin-2-one
SMILESCc1nc2ncc(-c3c[nH]c4nc(NC5CC(C)(N6CCCC6=O)C5)ncc34)nc2n1CC(F)F
InChIInChI=1S/C23H25F2N9O/c1-12-29-20-21(33(12)11-17(24)25)31-16(10-27-20)14-8-26-19-15(14)9-28-22(32-19)30-13-6-23(2,7-13)34-5-3-4-18(34)35/h8-10,13,17H,3-7,11H2,1-2H3,(H2,26,28,30,32)
InChIKeyHCOLKWFMMVFFED-UHFFFAOYSA-N
MW481.51 g/mol
LogP3.29
Rot. Bonds6

About 1-[3-[[5-[3-(2,2-difluoroethyl)-2-methylimidazo[4,5-b]pyrazin-5-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-1-methylcyclobutyl]pyrrolidin-2-one

1-[3-[[5-[3-(2,2-difluoroethyl)-2-methylimidazo[4,5-b]pyrazin-5-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-1-methylcyclobutyl]pyrrolidin-2-one (PubChem CID 168773371) has the molecular formula C23H25F2N9O and a molecular weight of 481.51 g/mol. Its IUPAC name is 1-[3-[[5-[3-(2,2-difluoroethyl)-2-methylimidazo[4,5-b]pyrazin-5-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-1-methylcyclobutyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-[[5-[3-(2,2-difluoroethyl)-2-methylimidazo[4,5-b]pyrazin-5-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-1-methylcyclobutyl]pyrrolidin-2-one
PubChem CID168773371
Molecular FormulaC23H25F2N9O
Molecular Weight481.51 g/mol
Exact Mass481.22
IUPAC Name1-[3-[[5-[3-(2,2-difluoroethyl)-2-methylimidazo[4,5-b]pyrazin-5-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-1-methylcyclobutyl]pyrrolidin-2-one
SMILESCc1nc2ncc(-c3c[nH]c4nc(NC5CC(C)(N6CCCC6=O)C5)ncc34)nc2n1CC(F)F
InChIInChI=1S/C23H25F2N9O/c1-12-29-20-21(33(12)11-17(24)25)31-16(10-27-20)14-8-26-19-15(14)9-28-22(32-19)30-13-6-23(2,7-13)34-5-3-4-18(34)35/h8-10,13,17H,3-7,11H2,1-2H3,(H2,26,28,30,32)
InChIKeyHCOLKWFMMVFFED-UHFFFAOYSA-N
XLogP3.29
TPSA117.51 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.51
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 1-[3-[[5-[3-(2,2-difluoroethyl)-2-methylimidazo[4,5-b]pyrazin-5-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-1-methylcyclobutyl]pyrrolidin-2-one with MolForge

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Related Compounds

1-[1-methyl-3-[[5-([1,2,4]triazolo[4,3-a]pyridin-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]cyclobutyl]pyrrolidin-2-one
CID 168772238
[3-[[5-[3-(2,2-difluoroethyl)-7-fluoro-2-methylbenzimidazol-5-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-1-methylcyclobutyl]-pyrrolidin-1-ylmethanone
CID 168774027
5-[3-(2,2-difluoroethyl)-2-methylimidazo[4,5-b]pyridin-5-yl]-N-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 168773923
3-[[5-[3-(2,2-difluoroethyl)-2-methylimidazo[4,5-b]pyrazin-5-yl]pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]-N,N,1-trimethylcyclobutane-1-carboxamide
CID 169277831
N-[3-[[5-[3-(2,2-difluoroethyl)-2-methylbenzimidazol-5-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-1-methylcyclobutyl]acetamide
CID 168773496
1-[7-[[5-[1-(2,2-difluoroethyl)-2-methylimidazo[4,5-b]pyridin-6-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-2-azaspiro[3.5]nonan-2-yl]ethanone
CID 168773392
[4-[[5-[3-(2,2-difluoroethyl)-2-methylbenzimidazol-5-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]cyclohexyl]-pyrrolidin-1-ylmethanone
CID 168772615
1-[3-[[5-(8-fluoroimidazo[1,2-a]pyridin-6-yl)-4-methoxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-1-methylcyclobutyl]pyrrolidin-2-one
CID 168772381
[3-[[5-[3-(2,2-difluoroethyl)benzotriazol-5-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-1-methylcyclobutyl]-pyrrolidin-1-ylmethanone
CID 168772929
1-[3-[(5-imidazo[1,2-a]pyrimidin-6-yl-4-methoxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-1-methylcyclobutyl]pyrrolidin-2-one
CID 168773665
1-[(3aR,6aS)-5-[[5-[3-(2,2-difluoroethyl)triazolo[4,5-b]pyridin-5-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]ethanone
CID 168773393
1-[7-[[5-[3-(2,2-difluoroethyl)-2-methylimidazo[4,5-b]pyrazin-5-yl]pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]-2-azaspiro[3.5]nonan-2-yl]ethanone
CID 169277863

Frequently Asked Questions

What is the IUPAC name of 1-[3-[[5-[3-(2,2-difluoroethyl)-2-methylimidazo[4,5-b]pyrazin-5-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-1-methylcyclobutyl]pyrrolidin-2-one?
The IUPAC name of 1-[3-[[5-[3-(2,2-difluoroethyl)-2-methylimidazo[4,5-b]pyrazin-5-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-1-methylcyclobutyl]pyrrolidin-2-one (CID 168773371) is 1-[3-[[5-[3-(2,2-difluoroethyl)-2-methylimidazo[4,5-b]pyrazin-5-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-1-methylcyclobutyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[3-[[5-[3-(2,2-difluoroethyl)-2-methylimidazo[4,5-b]pyrazin-5-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-1-methylcyclobutyl]pyrrolidin-2-one?
The canonical SMILES for 1-[3-[[5-[3-(2,2-difluoroethyl)-2-methylimidazo[4,5-b]pyrazin-5-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-1-methylcyclobutyl]pyrrolidin-2-one is Cc1nc2ncc(-c3c[nH]c4nc(NC5CC(C)(N6CCCC6=O)C5)ncc34)nc2n1CC(F)F.
What is the InChIKey of 1-[3-[[5-[3-(2,2-difluoroethyl)-2-methylimidazo[4,5-b]pyrazin-5-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-1-methylcyclobutyl]pyrrolidin-2-one?
The InChIKey is HCOLKWFMMVFFED-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F2N9O/c1-12-29-20-21(33(12)11-17(24)25)31-16(10-27-20)14-8-26-19-15(14)9-28-22(32-19)30-13-6-23(2,7-13)34-5-3-4-18(34)35/h8-10,13,17H,3-7,11H2,1-2H3,(H2,26,28,30,32).
What are the key properties of 1-[3-[[5-[3-(2,2-difluoroethyl)-2-methylimidazo[4,5-b]pyrazin-5-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-1-methylcyclobutyl]pyrrolidin-2-one?
1-[3-[[5-[3-(2,2-difluoroethyl)-2-methylimidazo[4,5-b]pyrazin-5-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-1-methylcyclobutyl]pyrrolidin-2-one has a molecular weight of 481.51 g/mol, XLogP of 3.29, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[5-[3-(2,2-difluoroethyl)-2-methylimidazo[4,5-b]pyrazin-5-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-1-methylcyclobutyl]pyrrolidin-2-one is sourced from PubChem (CID 168773371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).