[(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

C27H31N7O2 — CID 129223755

IUPAC[(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
SMILESCOCCn1c(-c2cc3cccnc3n2CC2CC2)nc2cc(C(=O)N3C[C@H]4CC[C@@H]3[C@@H]4N)cnc21
InChIInChI=1S/C27H31N7O2/c1-36-10-9-32-25-20(11-19(13-30-25)27(35)34-15-18-6-7-21(34)23(18)28)31-26(32)22-12-17-3-2-8-29-24(17)33(22)14-16-4-5-16/h2-3,8,11-13,16,18,21,23H,4-7,9-10,14-15,28H2,1H3/t18-,21-,23-/m1/s1
InChIKeyDEYYWSRIUBNCGP-JMUQELJHSA-N
MW485.59 g/mol
LogP3.07
Rot. Bonds7

About [(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

[(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 (PubChem CID 129223755) has the molecular formula C27H31N7O2 and a molecular weight of 485.59 g/mol. Its IUPAC name is [(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.

Molecular Properties

Compound Name[(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
PubChem CID129223755
Molecular FormulaC27H31N7O2
Molecular Weight485.59 g/mol
Exact Mass485.25
IUPAC Name[(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
SMILESCOCCn1c(-c2cc3cccnc3n2CC2CC2)nc2cc(C(=O)N3C[C@H]4CC[C@@H]3[C@@H]4N)cnc21
InChIInChI=1S/C27H31N7O2/c1-36-10-9-32-25-20(11-19(13-30-25)27(35)34-15-18-6-7-21(34)23(18)28)31-26(32)22-12-17-3-2-8-29-24(17)33(22)14-16-4-5-16/h2-3,8,11-13,16,18,21,23H,4-7,9-10,14-15,28H2,1H3/t18-,21-,23-/m1/s1
InChIKeyDEYYWSRIUBNCGP-JMUQELJHSA-N
XLogP3.07
TPSA104.09 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.59
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [(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 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

[(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
[(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
[(1R,4R,7R)-7-amino-2-azabicyclo[2.2.1]heptan-2-yl]-[2-(1-ethylpyrrolo[2,3-b]pyridin-2-yl)-1-(2-methoxyethyl)benzimidazol-5-yl]methanone
CID 129231301
[(1R,4R,7R)-7-amino-2-azabicyclo[2.2.1]heptan-2-yl]-[7-methoxy-2-[1-(2-methoxyethyl)pyrrolo[2,3-b]pyridin-2-yl]-1-methylbenzimidazol-5-yl]methanone
CID 129230099
[(7R)-7-amino-2-azabicyclo[2.2.1]heptan-2-yl]-[2-[1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-7-methoxy-1-[[(3S)-1-pyrimidin-2-ylpyrrolidin-3-yl]methyl]benzimidazol-5-yl]methanone
CID 166017660
methyl N-[2-[5-[(1R,4R,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]ethyl]carbamate
CID 172734066
[(1R,4R,7R)-7-amino-2-azabicyclo[2.2.1]heptan-2-yl]-[2-[1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-7-methoxy-1-[[(3R)-oxolan-3-yl]methyl]benzimidazol-5-yl]methanone
CID 129231308
1-[2-[3-[[5-[(1R,4R,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]phenyl]ethanone
CID 168859505
[(1R,4R,7R)-7-amino-2-azabicyclo[2.2.1]heptan-2-yl]-[2-[1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-7-methoxy-1-[[1-(3-methoxypyrazin-2-yl)azetidin-3-yl]methyl]benzimidazol-5-yl]methanone
CID 168859498
[(7R)-7-amino-2-azabicyclo[2.2.1]heptan-2-yl]-[1-(azetidin-3-yl)-2-[1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-7-methoxybenzimidazol-5-yl]methanone
CID 166017293
[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
[(7R)-7-amino-2-azabicyclo[2.2.1]heptan-2-yl]-[2-[1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-7-methoxy-1-[[1-(trifluoromethylsulfonyl)azetidin-3-yl]methyl]benzimidazol-5-yl]methanone
CID 166017616

Frequently Asked Questions

What is the IUPAC name of [(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?
The IUPAC name of [(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) is [(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.
What is the SMILES notation for [(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?
The canonical SMILES for [(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 is COCCn1c(-c2cc3cccnc3n2CC2CC2)nc2cc(C(=O)N3C[C@H]4CC[C@@H]3[C@@H]4N)cnc21.
What is the InChIKey of [(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?
The InChIKey is DEYYWSRIUBNCGP-JMUQELJHSA-N. The full InChI is InChI=1S/C27H31N7O2/c1-36-10-9-32-25-20(11-19(13-30-25)27(35)34-15-18-6-7-21(34)23(18)28)31-26(32)22-12-17-3-2-8-29-24(17)33(22)14-16-4-5-16/h2-3,8,11-13,16,18,21,23H,4-7,9-10,14-15,28H2,1H3/t18-,21-,23-/m1/s1.
What are the key properties of [(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?
[(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 has a molecular weight of 485.59 g/mol, XLogP of 3.07, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(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 is sourced from PubChem (CID 129223755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).