[(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

C23H25N7O — CID 129223746

IUPAC[(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
SMILESCCn1c(-c2nc3cc(C(=O)N4C[C@H]5CC[C@@H]4[C@@H]5N)cnc3n2C)cc2cccnc21
InChIInChI=1S/C23H25N7O/c1-3-29-18(10-13-5-4-8-25-20(13)29)22-27-16-9-15(11-26-21(16)28(22)2)23(31)30-12-14-6-7-17(30)19(14)24/h4-5,8-11,14,17,19H,3,6-7,12,24H2,1-2H3/t14-,17-,19-/m1/s1
InChIKeyAOXMQDAEXOJMGW-LSBZLQRGSA-N
MW415.50 g/mol
LogP2.57
Rot. Bonds3

About [(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

[(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 (PubChem CID 129223746) has the molecular formula C23H25N7O and a molecular weight of 415.50 g/mol. Its IUPAC name is [(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.

Molecular Properties

Compound Name[(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
PubChem CID129223746
Molecular FormulaC23H25N7O
Molecular Weight415.50 g/mol
Exact Mass415.21
IUPAC Name[(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
SMILESCCn1c(-c2nc3cc(C(=O)N4C[C@H]5CC[C@@H]4[C@@H]5N)cnc3n2C)cc2cccnc21
InChIInChI=1S/C23H25N7O/c1-3-29-18(10-13-5-4-8-25-20(13)29)22-27-16-9-15(11-26-21(16)28(22)2)23(31)30-12-14-6-7-17(30)19(14)24/h4-5,8-11,14,17,19H,3,6-7,12,24H2,1-2H3/t14-,17-,19-/m1/s1
InChIKeyAOXMQDAEXOJMGW-LSBZLQRGSA-N
XLogP2.57
TPSA94.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.50
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [(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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(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?
The IUPAC name of [(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) is [(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.
What is the SMILES notation for [(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?
The canonical SMILES for [(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 is CCn1c(-c2nc3cc(C(=O)N4C[C@H]5CC[C@@H]4[C@@H]5N)cnc3n2C)cc2cccnc21.
What is the InChIKey of [(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?
The InChIKey is AOXMQDAEXOJMGW-LSBZLQRGSA-N. The full InChI is InChI=1S/C23H25N7O/c1-3-29-18(10-13-5-4-8-25-20(13)29)22-27-16-9-15(11-26-21(16)28(22)2)23(31)30-12-14-6-7-17(30)19(14)24/h4-5,8-11,14,17,19H,3,6-7,12,24H2,1-2H3/t14-,17-,19-/m1/s1.
What are the key properties of [(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?
[(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 has a molecular weight of 415.50 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 7 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-ethylpyrrolo[2,3-b]pyridin-2-yl)-3-methylimidazo[4,5-b]pyridin-6-yl]methanone is sourced from PubChem (CID 129223746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).