[(2R,3R,4R)-3-amino-2,4-dimethylpyrrolidin-1-yl]-[2-[1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-3-(2,2-difluoroethyl)imidazo[4,5-b]pyridin-6-yl]methanone

C26H29F2N7O — CID 145330101

IUPAC[(2R,3R,4R)-3-amino-2,4-dimethylpyrrolidin-1-yl]-[2-[1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-3-(2,2-difluoroethyl)imidazo[4,5-b]pyridin-6-yl]methanone
SMILESC[C@@H]1CN(C(=O)c2cnc3c(c2)nc(-c2cc4cccnc4n2CC2CC2)n3CC(F)F)[C@H](C)[C@@H]1N
InChIInChI=1S/C26H29F2N7O/c1-14-11-33(15(2)22(14)29)26(36)18-8-19-24(31-10-18)35(13-21(27)28)25(32-19)20-9-17-4-3-7-30-23(17)34(20)12-16-5-6-16/h3-4,7-10,14-16,21-22H,5-6,11-13,29H2,1-2H3/t14-,15-,22-/m1/s1
InChIKeyPWJZGSIXOGGMSH-DOQJBMMISA-N
MW493.56 g/mol
LogP3.93
Rot. Bonds6

About [(2R,3R,4R)-3-amino-2,4-dimethylpyrrolidin-1-yl]-[2-[1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-3-(2,2-difluoroethyl)imidazo[4,5-b]pyridin-6-yl]methanone

[(2R,3R,4R)-3-amino-2,4-dimethylpyrrolidin-1-yl]-[2-[1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-3-(2,2-difluoroethyl)imidazo[4,5-b]pyridin-6-yl]methanone (PubChem CID 145330101) has the molecular formula C26H29F2N7O and a molecular weight of 493.56 g/mol. Its IUPAC name is [(2R,3R,4R)-3-amino-2,4-dimethylpyrrolidin-1-yl]-[2-[1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-3-(2,2-difluoroethyl)imidazo[4,5-b]pyridin-6-yl]methanone.

Molecular Properties

Compound Name[(2R,3R,4R)-3-amino-2,4-dimethylpyrrolidin-1-yl]-[2-[1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-3-(2,2-difluoroethyl)imidazo[4,5-b]pyridin-6-yl]methanone
PubChem CID145330101
Molecular FormulaC26H29F2N7O
Molecular Weight493.56 g/mol
Exact Mass493.24
IUPAC Name[(2R,3R,4R)-3-amino-2,4-dimethylpyrrolidin-1-yl]-[2-[1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-3-(2,2-difluoroethyl)imidazo[4,5-b]pyridin-6-yl]methanone
SMILESC[C@@H]1CN(C(=O)c2cnc3c(c2)nc(-c2cc4cccnc4n2CC2CC2)n3CC(F)F)[C@H](C)[C@@H]1N
InChIInChI=1S/C26H29F2N7O/c1-14-11-33(15(2)22(14)29)26(36)18-8-19-24(31-10-18)35(13-21(27)28)25(32-19)20-9-17-4-3-7-30-23(17)34(20)12-16-5-6-16/h3-4,7-10,14-16,21-22H,5-6,11-13,29H2,1-2H3/t14-,15-,22-/m1/s1
InChIKeyPWJZGSIXOGGMSH-DOQJBMMISA-N
XLogP3.93
TPSA94.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.56
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [(2R,3R,4R)-3-amino-2,4-dimethylpyrrolidin-1-yl]-[2-[1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-3-(2,2-difluoroethyl)imidazo[4,5-b]pyridin-6-yl]methanone with MolForge

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Related Compounds

[(1R,4R,7R)-7-amino-2-azabicyclo[2.2.1]heptan-2-yl]-[2-[1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-3-(2-methoxyethyl)imidazo[4,5-b]pyridin-6-yl]methanone
CID 129223755
[(1R,2S,5S)-2-amino-3-azabicyclo[3.2.0]heptan-3-yl]-[2-[1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-3-(2-methoxyethyl)imidazo[4,5-b]pyridin-6-yl]methanone
CID 155131901
(5-amino-2-methylpiperidin-1-yl)-[2-(1-ethylpyrrolo[2,3-b]pyridin-2-yl)-3-methylimidazo[4,5-b]pyridin-6-yl]methanone
CID 129223749
(3-amino-4-ethyl-2-methylpyrrolidin-1-yl)-[2-[1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-7-methyl-1-(oxolan-3-ylmethyl)benzimidazol-5-yl]methanone
CID 145329973
[(1R,4R,7R)-7-amino-2-azabicyclo[2.2.1]heptan-2-yl]-[2-(1-ethylpyrrolo[2,3-b]pyridin-2-yl)-3-methylimidazo[4,5-b]pyridin-6-yl]methanone
CID 129223746
[(4R,6S)-7-amino-6-(dimethylamino)-2-azabicyclo[2.2.1]heptan-2-yl]-[2-[1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-7-methoxy-1-methylbenzimidazol-5-yl]methanone
CID 145329776
[(3S,5S)-3-amino-5-fluoropiperidin-1-yl]-[2-[1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-7-(2,2-difluoroethoxy)-1-methylbenzimidazol-5-yl]methanone;sulfane
CID 159910701
[(3R)-3-aminopiperidin-1-yl]-[3-methyl-2-[1-(2,2,2-trifluoroethyl)pyrrolo[2,3-b]pyridin-2-yl]imidazo[4,5-b]pyridin-6-yl]methanone
CID 129223734
[(3R)-3-aminopiperidin-1-yl]-[2-[1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-1-methylbenzimidazol-5-yl]methanone
CID 72725333
[(3R,4S)-3-amino-4-methoxypiperidin-1-yl]-[2-[1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-7-(difluoromethoxy)-1-methylbenzimidazol-5-yl]methanone
CID 129230155
[(3S,4S)-3-amino-4-fluoropiperidin-1-yl]-[2-[1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-1-methylbenzimidazol-5-yl]methanone;sulfane
CID 158885389
[3-[[5-[(7R)-7-amino-2-azabicyclo[2.2.1]heptane-2-carbonyl]-2-[1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-7-methoxybenzimidazol-1-yl]methyl]azetidin-1-yl]-(6-chloro-3-pyridinyl)methanone
CID 166017472

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4R)-3-amino-2,4-dimethylpyrrolidin-1-yl]-[2-[1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-3-(2,2-difluoroethyl)imidazo[4,5-b]pyridin-6-yl]methanone?
The IUPAC name of [(2R,3R,4R)-3-amino-2,4-dimethylpyrrolidin-1-yl]-[2-[1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-3-(2,2-difluoroethyl)imidazo[4,5-b]pyridin-6-yl]methanone (CID 145330101) is [(2R,3R,4R)-3-amino-2,4-dimethylpyrrolidin-1-yl]-[2-[1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-3-(2,2-difluoroethyl)imidazo[4,5-b]pyridin-6-yl]methanone.
What is the SMILES notation for [(2R,3R,4R)-3-amino-2,4-dimethylpyrrolidin-1-yl]-[2-[1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-3-(2,2-difluoroethyl)imidazo[4,5-b]pyridin-6-yl]methanone?
The canonical SMILES for [(2R,3R,4R)-3-amino-2,4-dimethylpyrrolidin-1-yl]-[2-[1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-3-(2,2-difluoroethyl)imidazo[4,5-b]pyridin-6-yl]methanone is C[C@@H]1CN(C(=O)c2cnc3c(c2)nc(-c2cc4cccnc4n2CC2CC2)n3CC(F)F)[C@H](C)[C@@H]1N.
What is the InChIKey of [(2R,3R,4R)-3-amino-2,4-dimethylpyrrolidin-1-yl]-[2-[1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-3-(2,2-difluoroethyl)imidazo[4,5-b]pyridin-6-yl]methanone?
The InChIKey is PWJZGSIXOGGMSH-DOQJBMMISA-N. The full InChI is InChI=1S/C26H29F2N7O/c1-14-11-33(15(2)22(14)29)26(36)18-8-19-24(31-10-18)35(13-21(27)28)25(32-19)20-9-17-4-3-7-30-23(17)34(20)12-16-5-6-16/h3-4,7-10,14-16,21-22H,5-6,11-13,29H2,1-2H3/t14-,15-,22-/m1/s1.
What are the key properties of [(2R,3R,4R)-3-amino-2,4-dimethylpyrrolidin-1-yl]-[2-[1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-3-(2,2-difluoroethyl)imidazo[4,5-b]pyridin-6-yl]methanone?
[(2R,3R,4R)-3-amino-2,4-dimethylpyrrolidin-1-yl]-[2-[1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-3-(2,2-difluoroethyl)imidazo[4,5-b]pyridin-6-yl]methanone has a molecular weight of 493.56 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,4R)-3-amino-2,4-dimethylpyrrolidin-1-yl]-[2-[1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-3-(2,2-difluoroethyl)imidazo[4,5-b]pyridin-6-yl]methanone is sourced from PubChem (CID 145330101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).