[(1R,2R,4S)-2-amino-7-azabicyclo[2.2.1]heptan-7-yl]-[2-[1-(cyclopropylmethyl)-6-(3,3-dioxo-1,3,4-oxathiazinan-4-yl)pyrrolo[2,3-b]pyridin-2-yl]-5-methoxy-3-methylimidazo[1,2-a]pyridin-7-yl]methanone

C30H35N7O5S — CID 164555477

IUPAC[(1R,2R,4S)-2-amino-7-azabicyclo[2.2.1]heptan-7-yl]-[2-[1-(cyclopropylmethyl)-6-(3,3-dioxo-1,3,4-oxathiazinan-4-yl)pyrrolo[2,3-b]pyridin-2-yl]-5-methoxy-3-methylimidazo[1,2-a]pyridin-7-yl]methanone
SMILESCOc1cc(C(=O)N2[C@H]3CC[C@@H]2[C@H](N)C3)cc2nc(-c3cc4ccc(N5CCOCS5(=O)=O)nc4n3CC3CC3)c(C)n12
InChIInChI=1S/C30H35N7O5S/c1-17-28(32-26-12-20(13-27(41-2)36(17)26)30(38)37-21-6-7-23(37)22(31)14-21)24-11-19-5-8-25(35-9-10-42-16-43(35,39)40)33-29(19)34(24)15-18-3-4-18/h5,8,11-13,18,21-23H,3-4,6-7,9-10,14-16,31H2,1-2H3/t21-,22+,23+/m0/s1
InChIKeyGXQFKLBURSMJDR-YTFSRNRJSA-N
MW605.72 g/mol
LogP2.91
Rot. Bonds6

About [(1R,2R,4S)-2-amino-7-azabicyclo[2.2.1]heptan-7-yl]-[2-[1-(cyclopropylmethyl)-6-(3,3-dioxo-1,3,4-oxathiazinan-4-yl)pyrrolo[2,3-b]pyridin-2-yl]-5-methoxy-3-methylimidazo[1,2-a]pyridin-7-yl]methanone

[(1R,2R,4S)-2-amino-7-azabicyclo[2.2.1]heptan-7-yl]-[2-[1-(cyclopropylmethyl)-6-(3,3-dioxo-1,3,4-oxathiazinan-4-yl)pyrrolo[2,3-b]pyridin-2-yl]-5-methoxy-3-methylimidazo[1,2-a]pyridin-7-yl]methanone (PubChem CID 164555477) has the molecular formula C30H35N7O5S and a molecular weight of 605.72 g/mol. Its IUPAC name is [(1R,2R,4S)-2-amino-7-azabicyclo[2.2.1]heptan-7-yl]-[2-[1-(cyclopropylmethyl)-6-(3,3-dioxo-1,3,4-oxathiazinan-4-yl)pyrrolo[2,3-b]pyridin-2-yl]-5-methoxy-3-methylimidazo[1,2-a]pyridin-7-yl]methanone.

Molecular Properties

Compound Name[(1R,2R,4S)-2-amino-7-azabicyclo[2.2.1]heptan-7-yl]-[2-[1-(cyclopropylmethyl)-6-(3,3-dioxo-1,3,4-oxathiazinan-4-yl)pyrrolo[2,3-b]pyridin-2-yl]-5-methoxy-3-methylimidazo[1,2-a]pyridin-7-yl]methanone
PubChem CID164555477
Molecular FormulaC30H35N7O5S
Molecular Weight605.72 g/mol
Exact Mass605.24
IUPAC Name[(1R,2R,4S)-2-amino-7-azabicyclo[2.2.1]heptan-7-yl]-[2-[1-(cyclopropylmethyl)-6-(3,3-dioxo-1,3,4-oxathiazinan-4-yl)pyrrolo[2,3-b]pyridin-2-yl]-5-methoxy-3-methylimidazo[1,2-a]pyridin-7-yl]methanone
SMILESCOc1cc(C(=O)N2[C@H]3CC[C@@H]2[C@H](N)C3)cc2nc(-c3cc4ccc(N5CCOCS5(=O)=O)nc4n3CC3CC3)c(C)n12
InChIInChI=1S/C30H35N7O5S/c1-17-28(32-26-12-20(13-27(41-2)36(17)26)30(38)37-21-6-7-23(37)22(31)14-21)24-11-19-5-8-25(35-9-10-42-16-43(35,39)40)33-29(19)34(24)15-18-3-4-18/h5,8,11-13,18,21-23H,3-4,6-7,9-10,14-16,31H2,1-2H3/t21-,22+,23+/m0/s1
InChIKeyGXQFKLBURSMJDR-YTFSRNRJSA-N
XLogP2.91
TPSA137.29 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500605.72
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze [(1R,2R,4S)-2-amino-7-azabicyclo[2.2.1]heptan-7-yl]-[2-[1-(cyclopropylmethyl)-6-(3,3-dioxo-1,3,4-oxathiazinan-4-yl)pyrrolo[2,3-b]pyridin-2-yl]-5-methoxy-3-methylimidazo[1,2-a]pyridin-7-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

3-[(1R)-1-[2-[7-[(1R,2R,4S)-2-amino-7-azabicyclo[2.2.1]heptane-7-carbonyl]-5-methoxy-3-methylimidazo[1,2-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]ethyl]-1,3-oxazolidin-2-one
CID 164555666
(3S)-N-[(1R)-1-[2-[7-[(2R,4S)-2-amino-7-azabicyclo[2.2.1]heptane-7-carbonyl]-5-methoxy-3-methylimidazo[1,2-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]ethyl]-3-fluoropyrrolidine-1-carboxamide
CID 164555916
3-[2-[7-[(1R,2R,4S)-2-amino-7-azabicyclo[2.2.1]heptane-7-carbonyl]-5-methoxy-3-methylimidazo[1,2-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]-N-tert-butylbutanamide
CID 164556253
ethyl 4-[[(1R)-1-[2-[7-[(1R,2R,4S)-2-amino-7-azabicyclo[2.2.1]heptane-7-carbonyl]-5-methoxy-3-methylimidazo[1,2-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]ethyl]amino]-4-oxobutanoate
CID 164555710
(1R,5R)-N-[(1R)-1-[2-[7-[(1R,2R,4S)-2-amino-7-azabicyclo[2.2.1]heptane-7-carbonyl]-5-methoxy-3-methylimidazo[1,2-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]ethyl]-2-oxa-6-azabicyclo[3.2.0]heptane-6-carboxamide
CID 167135052
N-[(1R)-1-[2-[7-[(1R,2R,4S)-2-amino-7-azabicyclo[2.2.1]heptane-7-carbonyl]-5-methoxy-3-methylimidazo[1,2-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]ethyl]pyrimidine-2-carboxamide
CID 164555681
N-[(1R)-1-[2-[7-[(1R,2R,4S)-2-amino-7-azabicyclo[2.2.1]heptane-7-carbonyl]-5-methoxy-3-methylimidazo[1,2-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]ethyl]-4,4-difluorocyclohexane-1-carboxamide
CID 167135010
1-[[(1R)-1-[2-[7-[(1R,2R,4S)-2-amino-7-azabicyclo[2.2.1]heptane-7-carbonyl]-5-methoxy-3-methylimidazo[1,2-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]ethyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 164555824
N-[(1R)-1-[2-[7-[(1R,2R,4S)-2-amino-7-azabicyclo[2.2.1]heptane-7-carbonyl]-5-methoxy-3-methylimidazo[1,2-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]ethyl]-3,3,3-trifluoro-2,2-dimethylpropanamide
CID 164555496
[(1R,2R,4S)-2-amino-7-azabicyclo[2.2.1]heptan-7-yl]-[3-cyclopropyl-2-[1-(cyclopropylmethyl)-6-ethylpyrrolo[2,3-b]pyridin-2-yl]-5-methoxyimidazo[1,2-a]pyridin-7-yl]methanone
CID 164556363
N-[(1R)-1-[2-[7-[(1R,2R,4S)-2-amino-7-azabicyclo[2.2.1]heptane-7-carbonyl]-5-methoxy-3-methylimidazo[1,2-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]ethyl]-2,2-difluoro-3,3-dimethylcyclopropane-1-carboxamide
CID 164556170
N-[(1R)-1-[2-[7-[(1R,2R,4S)-2-amino-7-azabicyclo[2.2.1]heptane-7-carbonyl]-5-methoxy-3-methylimidazo[1,2-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]ethyl]-1-methylpyrazole-4-carboxamide
CID 167135292

Frequently Asked Questions

What is the IUPAC name of [(1R,2R,4S)-2-amino-7-azabicyclo[2.2.1]heptan-7-yl]-[2-[1-(cyclopropylmethyl)-6-(3,3-dioxo-1,3,4-oxathiazinan-4-yl)pyrrolo[2,3-b]pyridin-2-yl]-5-methoxy-3-methylimidazo[1,2-a]pyridin-7-yl]methanone?
The IUPAC name of [(1R,2R,4S)-2-amino-7-azabicyclo[2.2.1]heptan-7-yl]-[2-[1-(cyclopropylmethyl)-6-(3,3-dioxo-1,3,4-oxathiazinan-4-yl)pyrrolo[2,3-b]pyridin-2-yl]-5-methoxy-3-methylimidazo[1,2-a]pyridin-7-yl]methanone (CID 164555477) is [(1R,2R,4S)-2-amino-7-azabicyclo[2.2.1]heptan-7-yl]-[2-[1-(cyclopropylmethyl)-6-(3,3-dioxo-1,3,4-oxathiazinan-4-yl)pyrrolo[2,3-b]pyridin-2-yl]-5-methoxy-3-methylimidazo[1,2-a]pyridin-7-yl]methanone.
What is the SMILES notation for [(1R,2R,4S)-2-amino-7-azabicyclo[2.2.1]heptan-7-yl]-[2-[1-(cyclopropylmethyl)-6-(3,3-dioxo-1,3,4-oxathiazinan-4-yl)pyrrolo[2,3-b]pyridin-2-yl]-5-methoxy-3-methylimidazo[1,2-a]pyridin-7-yl]methanone?
The canonical SMILES for [(1R,2R,4S)-2-amino-7-azabicyclo[2.2.1]heptan-7-yl]-[2-[1-(cyclopropylmethyl)-6-(3,3-dioxo-1,3,4-oxathiazinan-4-yl)pyrrolo[2,3-b]pyridin-2-yl]-5-methoxy-3-methylimidazo[1,2-a]pyridin-7-yl]methanone is COc1cc(C(=O)N2[C@H]3CC[C@@H]2[C@H](N)C3)cc2nc(-c3cc4ccc(N5CCOCS5(=O)=O)nc4n3CC3CC3)c(C)n12.
What is the InChIKey of [(1R,2R,4S)-2-amino-7-azabicyclo[2.2.1]heptan-7-yl]-[2-[1-(cyclopropylmethyl)-6-(3,3-dioxo-1,3,4-oxathiazinan-4-yl)pyrrolo[2,3-b]pyridin-2-yl]-5-methoxy-3-methylimidazo[1,2-a]pyridin-7-yl]methanone?
The InChIKey is GXQFKLBURSMJDR-YTFSRNRJSA-N. The full InChI is InChI=1S/C30H35N7O5S/c1-17-28(32-26-12-20(13-27(41-2)36(17)26)30(38)37-21-6-7-23(37)22(31)14-21)24-11-19-5-8-25(35-9-10-42-16-43(35,39)40)33-29(19)34(24)15-18-3-4-18/h5,8,11-13,18,21-23H,3-4,6-7,9-10,14-16,31H2,1-2H3/t21-,22+,23+/m0/s1.
What are the key properties of [(1R,2R,4S)-2-amino-7-azabicyclo[2.2.1]heptan-7-yl]-[2-[1-(cyclopropylmethyl)-6-(3,3-dioxo-1,3,4-oxathiazinan-4-yl)pyrrolo[2,3-b]pyridin-2-yl]-5-methoxy-3-methylimidazo[1,2-a]pyridin-7-yl]methanone?
[(1R,2R,4S)-2-amino-7-azabicyclo[2.2.1]heptan-7-yl]-[2-[1-(cyclopropylmethyl)-6-(3,3-dioxo-1,3,4-oxathiazinan-4-yl)pyrrolo[2,3-b]pyridin-2-yl]-5-methoxy-3-methylimidazo[1,2-a]pyridin-7-yl]methanone has a molecular weight of 605.72 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R,4S)-2-amino-7-azabicyclo[2.2.1]heptan-7-yl]-[2-[1-(cyclopropylmethyl)-6-(3,3-dioxo-1,3,4-oxathiazinan-4-yl)pyrrolo[2,3-b]pyridin-2-yl]-5-methoxy-3-methylimidazo[1,2-a]pyridin-7-yl]methanone is sourced from PubChem (CID 164555477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).