(2-amino-4-methylphenyl)-[4-(2-morpholin-2-yl-1H-imidazo[4,5-b]pyridin-7-yl)piperidin-1-yl]methanone

C23H28N6O2 — CID 164921742

IUPAC(2-amino-4-methylphenyl)-[4-(2-morpholin-2-yl-1H-imidazo[4,5-b]pyridin-7-yl)piperidin-1-yl]methanone
SMILESCc1ccc(C(=O)N2CCC(c3ccnc4nc(C5CNCCO5)[nH]c34)CC2)c(N)c1
InChIInChI=1S/C23H28N6O2/c1-14-2-3-17(18(24)12-14)23(30)29-9-5-15(6-10-29)16-4-7-26-22-20(16)27-21(28-22)19-13-25-8-11-31-19/h2-4,7,12,15,19,25H,5-6,8-11,13,24H2,1H3,(H,26,27,28)
InChIKeyILADTTWYUYSRLC-UHFFFAOYSA-N
MW420.52 g/mol
LogP2.53
Rot. Bonds3

About (2-amino-4-methylphenyl)-[4-(2-morpholin-2-yl-1H-imidazo[4,5-b]pyridin-7-yl)piperidin-1-yl]methanone

(2-amino-4-methylphenyl)-[4-(2-morpholin-2-yl-1H-imidazo[4,5-b]pyridin-7-yl)piperidin-1-yl]methanone (PubChem CID 164921742) has the molecular formula C23H28N6O2 and a molecular weight of 420.52 g/mol. Its IUPAC name is (2-amino-4-methylphenyl)-[4-(2-morpholin-2-yl-1H-imidazo[4,5-b]pyridin-7-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-amino-4-methylphenyl)-[4-(2-morpholin-2-yl-1H-imidazo[4,5-b]pyridin-7-yl)piperidin-1-yl]methanone
PubChem CID164921742
Molecular FormulaC23H28N6O2
Molecular Weight420.52 g/mol
Exact Mass420.23
IUPAC Name(2-amino-4-methylphenyl)-[4-(2-morpholin-2-yl-1H-imidazo[4,5-b]pyridin-7-yl)piperidin-1-yl]methanone
SMILESCc1ccc(C(=O)N2CCC(c3ccnc4nc(C5CNCCO5)[nH]c34)CC2)c(N)c1
InChIInChI=1S/C23H28N6O2/c1-14-2-3-17(18(24)12-14)23(30)29-9-5-15(6-10-29)16-4-7-26-22-20(16)27-21(28-22)19-13-25-8-11-31-19/h2-4,7,12,15,19,25H,5-6,8-11,13,24H2,1H3,(H,26,27,28)
InChIKeyILADTTWYUYSRLC-UHFFFAOYSA-N
XLogP2.53
TPSA109.16 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.52
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

[2-amino-4-(pentafluoro-λ6-sulfanyl)phenyl]-[4-(2-morpholin-2-yl-1H-imidazo[4,5-b]pyridin-7-yl)piperidin-1-yl]methanone
CID 177249394
[4-[2-[(2R)-morpholin-2-yl]-1H-imidazo[4,5-b]pyridin-7-yl]piperidin-1-yl]-[4-(pentafluoro-λ6-sulfanyl)phenyl]methanone
CID 170734051
[2-amino-4-(trifluoromethoxy)phenyl]-[4-[2-[(2S)-6,6-dimethylmorpholin-2-yl]-1H-imidazo[4,5-b]pyridin-7-yl]piperidin-1-yl]methanone;hydrochloride
CID 176894483
1-[4-[7-[1-[2-amino-4-(trifluoromethoxy)benzoyl]piperidin-4-yl]-1H-imidazo[4,5-b]pyridin-2-yl]piperidin-1-yl]ethanone
CID 170734563
[2-amino-4-(trifluoromethoxy)phenyl]-[4-[2-[(3R)-5,5-difluoropiperidin-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]piperidin-1-yl]methanone
CID 174173961
[4-[2-[(2S)-oxolan-2-yl]-1H-imidazo[4,5-b]pyridin-7-yl]piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone
CID 174173816
(2-amino-5-fluoro-4-methylphenyl)-[4-(6-fluoro-2-piperidin-3-yl-1H-imidazo[4,5-b]pyridin-7-yl)piperidin-1-yl]methanone
CID 164921803
(3-aminoquinoxalin-2-yl)-[4-[2-(oxan-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]piperidin-1-yl]methanone
CID 170734256
4-(2-methyl-1H-imidazo[4,5-b]pyridin-7-yl)piperidine-1-carboxylic acid
CID 174174048
[4-(pentafluoro-λ6-sulfanyl)phenyl]-[4-(2-piperidin-4-yl-1H-imidazo[4,5-b]pyridin-7-yl)piperidin-1-yl]methanone
CID 170734633
[4-[2-[(2R)-piperazin-2-yl]-1H-imidazo[4,5-b]pyridin-7-yl]piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone
CID 174174011
[4-(2-piperidin-4-yl-1H-imidazo[4,5-b]pyridin-7-yl)piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone
CID 170734259

Frequently Asked Questions

What is the IUPAC name of (2-amino-4-methylphenyl)-[4-(2-morpholin-2-yl-1H-imidazo[4,5-b]pyridin-7-yl)piperidin-1-yl]methanone?
The IUPAC name of (2-amino-4-methylphenyl)-[4-(2-morpholin-2-yl-1H-imidazo[4,5-b]pyridin-7-yl)piperidin-1-yl]methanone (CID 164921742) is (2-amino-4-methylphenyl)-[4-(2-morpholin-2-yl-1H-imidazo[4,5-b]pyridin-7-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (2-amino-4-methylphenyl)-[4-(2-morpholin-2-yl-1H-imidazo[4,5-b]pyridin-7-yl)piperidin-1-yl]methanone?
The canonical SMILES for (2-amino-4-methylphenyl)-[4-(2-morpholin-2-yl-1H-imidazo[4,5-b]pyridin-7-yl)piperidin-1-yl]methanone is Cc1ccc(C(=O)N2CCC(c3ccnc4nc(C5CNCCO5)[nH]c34)CC2)c(N)c1.
What is the InChIKey of (2-amino-4-methylphenyl)-[4-(2-morpholin-2-yl-1H-imidazo[4,5-b]pyridin-7-yl)piperidin-1-yl]methanone?
The InChIKey is ILADTTWYUYSRLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O2/c1-14-2-3-17(18(24)12-14)23(30)29-9-5-15(6-10-29)16-4-7-26-22-20(16)27-21(28-22)19-13-25-8-11-31-19/h2-4,7,12,15,19,25H,5-6,8-11,13,24H2,1H3,(H,26,27,28).
What are the key properties of (2-amino-4-methylphenyl)-[4-(2-morpholin-2-yl-1H-imidazo[4,5-b]pyridin-7-yl)piperidin-1-yl]methanone?
(2-amino-4-methylphenyl)-[4-(2-morpholin-2-yl-1H-imidazo[4,5-b]pyridin-7-yl)piperidin-1-yl]methanone has a molecular weight of 420.52 g/mol, XLogP of 2.53, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-4-methylphenyl)-[4-(2-morpholin-2-yl-1H-imidazo[4,5-b]pyridin-7-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 164921742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).