(5-amino-2-methylpiperidin-1-yl)-[2-(1-ethylpyrrolo[2,3-b]pyridin-2-yl)-3-methylimidazo[4,5-b]pyridin-6-yl]methanone

C23H27N7O — CID 129223749

IUPAC(5-amino-2-methylpiperidin-1-yl)-[2-(1-ethylpyrrolo[2,3-b]pyridin-2-yl)-3-methylimidazo[4,5-b]pyridin-6-yl]methanone
SMILESCCn1c(-c2nc3cc(C(=O)N4CC(N)CCC4C)cnc3n2C)cc2cccnc21
InChIInChI=1S/C23H27N7O/c1-4-29-19(11-15-6-5-9-25-20(15)29)22-27-18-10-16(12-26-21(18)28(22)3)23(31)30-13-17(24)8-7-14(30)2/h5-6,9-12,14,17H,4,7-8,13,24H2,1-3H3
InChIKeyQPNLWLKSPGEXCZ-UHFFFAOYSA-N
MW417.52 g/mol
LogP2.96
Rot. Bonds3

About (5-amino-2-methylpiperidin-1-yl)-[2-(1-ethylpyrrolo[2,3-b]pyridin-2-yl)-3-methylimidazo[4,5-b]pyridin-6-yl]methanone

(5-amino-2-methylpiperidin-1-yl)-[2-(1-ethylpyrrolo[2,3-b]pyridin-2-yl)-3-methylimidazo[4,5-b]pyridin-6-yl]methanone (PubChem CID 129223749) has the molecular formula C23H27N7O and a molecular weight of 417.52 g/mol. Its IUPAC name is (5-amino-2-methylpiperidin-1-yl)-[2-(1-ethylpyrrolo[2,3-b]pyridin-2-yl)-3-methylimidazo[4,5-b]pyridin-6-yl]methanone.

Molecular Properties

Compound Name(5-amino-2-methylpiperidin-1-yl)-[2-(1-ethylpyrrolo[2,3-b]pyridin-2-yl)-3-methylimidazo[4,5-b]pyridin-6-yl]methanone
PubChem CID129223749
Molecular FormulaC23H27N7O
Molecular Weight417.52 g/mol
Exact Mass417.23
IUPAC Name(5-amino-2-methylpiperidin-1-yl)-[2-(1-ethylpyrrolo[2,3-b]pyridin-2-yl)-3-methylimidazo[4,5-b]pyridin-6-yl]methanone
SMILESCCn1c(-c2nc3cc(C(=O)N4CC(N)CCC4C)cnc3n2C)cc2cccnc21
InChIInChI=1S/C23H27N7O/c1-4-29-19(11-15-6-5-9-25-20(15)29)22-27-18-10-16(12-26-21(18)28(22)3)23(31)30-13-17(24)8-7-14(30)2/h5-6,9-12,14,17H,4,7-8,13,24H2,1-3H3
InChIKeyQPNLWLKSPGEXCZ-UHFFFAOYSA-N
XLogP2.96
TPSA94.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.52
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (5-amino-2-methylpiperidin-1-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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Related Compounds

[(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
[(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
(3-aminopiperidin-1-yl)-[2-(1-ethylpyrrolo[2,3-b]pyridin-2-yl)-7-methoxy-1-methylbenzimidazol-5-yl]methanone
CID 118158934
[(1R,4R,7R)-7-amino-2-azabicyclo[2.2.1]heptan-2-yl]-[2-(1-ethylpyrrolo[2,3-b]pyridin-2-yl)-1-methylbenzimidazol-5-yl]methanone
CID 129230105
[(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
[(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-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-3-(2-methoxyethyl)imidazo[4,5-b]pyridin-6-yl]methanone
CID 129223755
[(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
[(3R)-3-aminopiperidin-1-yl]-[2-[1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-1-methylbenzimidazol-5-yl]methanone
CID 72725333
(3-aminopiperidin-1-yl)-[2-[1-(2,2-dimethylpropyl)pyrrolo[2,3-b]pyridin-2-yl]-7-methoxy-1-methylbenzimidazol-5-yl]methanone
CID 118158974
[(3R)-3-aminopiperidin-1-yl]-[2-[1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-7-hydroxy-1-methylbenzimidazol-5-yl]methanone
CID 134481914
(5-amino-2-methylpiperidin-1-yl)-[2-[1-(cyclopropylmethyl)-6-[cyclopropyl(methylsulfanyl)amino]pyrrolo[2,3-b]pyridin-2-yl]-7-methoxy-1-methylbenzimidazol-5-yl]methanone
CID 164554431

Frequently Asked Questions

What is the IUPAC name of (5-amino-2-methylpiperidin-1-yl)-[2-(1-ethylpyrrolo[2,3-b]pyridin-2-yl)-3-methylimidazo[4,5-b]pyridin-6-yl]methanone?
The IUPAC name of (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) is (5-amino-2-methylpiperidin-1-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 (5-amino-2-methylpiperidin-1-yl)-[2-(1-ethylpyrrolo[2,3-b]pyridin-2-yl)-3-methylimidazo[4,5-b]pyridin-6-yl]methanone?
The canonical SMILES for (5-amino-2-methylpiperidin-1-yl)-[2-(1-ethylpyrrolo[2,3-b]pyridin-2-yl)-3-methylimidazo[4,5-b]pyridin-6-yl]methanone is CCn1c(-c2nc3cc(C(=O)N4CC(N)CCC4C)cnc3n2C)cc2cccnc21.
What is the InChIKey of (5-amino-2-methylpiperidin-1-yl)-[2-(1-ethylpyrrolo[2,3-b]pyridin-2-yl)-3-methylimidazo[4,5-b]pyridin-6-yl]methanone?
The InChIKey is QPNLWLKSPGEXCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N7O/c1-4-29-19(11-15-6-5-9-25-20(15)29)22-27-18-10-16(12-26-21(18)28(22)3)23(31)30-13-17(24)8-7-14(30)2/h5-6,9-12,14,17H,4,7-8,13,24H2,1-3H3.
What are the key properties of (5-amino-2-methylpiperidin-1-yl)-[2-(1-ethylpyrrolo[2,3-b]pyridin-2-yl)-3-methylimidazo[4,5-b]pyridin-6-yl]methanone?
(5-amino-2-methylpiperidin-1-yl)-[2-(1-ethylpyrrolo[2,3-b]pyridin-2-yl)-3-methylimidazo[4,5-b]pyridin-6-yl]methanone has a molecular weight of 417.52 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-2-methylpiperidin-1-yl)-[2-(1-ethylpyrrolo[2,3-b]pyridin-2-yl)-3-methylimidazo[4,5-b]pyridin-6-yl]methanone is sourced from PubChem (CID 129223749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).