5-[[5-[(1-cyclopropyl-2,2,2-trifluoroethyl)amino]-3-methylimidazo[4,5-b]pyridin-7-yl]amino]-N-ethylpyridine-2-carboxamide

C20H22F3N7O — CID 138571385

IUPAC5-[[5-[(1-cyclopropyl-2,2,2-trifluoroethyl)amino]-3-methylimidazo[4,5-b]pyridin-7-yl]amino]-N-ethylpyridine-2-carboxamide
SMILESCCNC(=O)c1ccc(Nc2cc(NC(C3CC3)C(F)(F)F)nc3c2ncn3C)cn1
InChIInChI=1S/C20H22F3N7O/c1-3-24-19(31)13-7-6-12(9-25-13)27-14-8-15(29-18-16(14)26-10-30(18)2)28-17(11-4-5-11)20(21,22)23/h6-11,17H,3-5H2,1-2H3,(H,24,31)(H2,27,28,29)
InChIKeyKXJKEFLKZXHITO-UHFFFAOYSA-N
MW433.44 g/mol
LogP3.61
Rot. Bonds7

About 5-[[5-[(1-cyclopropyl-2,2,2-trifluoroethyl)amino]-3-methylimidazo[4,5-b]pyridin-7-yl]amino]-N-ethylpyridine-2-carboxamide

5-[[5-[(1-cyclopropyl-2,2,2-trifluoroethyl)amino]-3-methylimidazo[4,5-b]pyridin-7-yl]amino]-N-ethylpyridine-2-carboxamide (PubChem CID 138571385) has the molecular formula C20H22F3N7O and a molecular weight of 433.44 g/mol. Its IUPAC name is 5-[[5-[(1-cyclopropyl-2,2,2-trifluoroethyl)amino]-3-methylimidazo[4,5-b]pyridin-7-yl]amino]-N-ethylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-[[5-[(1-cyclopropyl-2,2,2-trifluoroethyl)amino]-3-methylimidazo[4,5-b]pyridin-7-yl]amino]-N-ethylpyridine-2-carboxamide
PubChem CID138571385
Molecular FormulaC20H22F3N7O
Molecular Weight433.44 g/mol
Exact Mass433.18
IUPAC Name5-[[5-[(1-cyclopropyl-2,2,2-trifluoroethyl)amino]-3-methylimidazo[4,5-b]pyridin-7-yl]amino]-N-ethylpyridine-2-carboxamide
SMILESCCNC(=O)c1ccc(Nc2cc(NC(C3CC3)C(F)(F)F)nc3c2ncn3C)cn1
InChIInChI=1S/C20H22F3N7O/c1-3-24-19(31)13-7-6-12(9-25-13)27-14-8-15(29-18-16(14)26-10-30(18)2)28-17(11-4-5-11)20(21,22)23/h6-11,17H,3-5H2,1-2H3,(H,24,31)(H2,27,28,29)
InChIKeyKXJKEFLKZXHITO-UHFFFAOYSA-N
XLogP3.61
TPSA96.76 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.44
LogP ≤ 53.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 5-[[5-[(1-cyclopropyl-2,2,2-trifluoroethyl)amino]-3-methylimidazo[4,5-b]pyridin-7-yl]amino]-N-ethylpyridine-2-carboxamide with MolForge

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Related Compounds

7-N-(6-aminopyrimidin-4-yl)-5-N-(dicyclohexylmethyl)-3-methylimidazo[4,5-b]pyridine-5,7-diamine
CID 175482699
N-cyclopentyl-5-[2-(trifluoromethyl)anilino]pyridine-2-carboxamide
CID 109182289
5-hydrazinyl-N-[2-(1-methylpiperidin-4-yl)ethyl]pyridine-2-carboxamide
CID 114516677
5-[4-chloro-2-(trifluoromethyl)anilino]-N-(3-methoxypropyl)pyridine-2-carboxamide
CID 109184357
5-[4-(4-methylpiperazin-1-yl)anilino]-N-propylpyridine-2-carboxamide
CID 109179197
N-(3-methylbutyl)-5-(2-propan-2-yloxyanilino)pyridine-2-carboxamide
CID 109195550
4-chloro-N-ethyl-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 19268098
N-butyl-5-(quinolin-8-ylamino)pyridine-2-carboxamide
CID 109180787
N-cyclopropyl-5-(2,5-dimethylanilino)pyridine-2-carboxamide
CID 109179930
5-(2-cyanoanilino)-N-propylpyridine-2-carboxamide
CID 109179228
5-(2-ethoxyanilino)-N-(2-methylpropyl)pyridine-2-carboxamide
CID 109181135
5-(2-bromo-4-methylanilino)-N-propylpyridine-2-carboxamide
CID 109179204

Frequently Asked Questions

What is the IUPAC name of 5-[[5-[(1-cyclopropyl-2,2,2-trifluoroethyl)amino]-3-methylimidazo[4,5-b]pyridin-7-yl]amino]-N-ethylpyridine-2-carboxamide?
The IUPAC name of 5-[[5-[(1-cyclopropyl-2,2,2-trifluoroethyl)amino]-3-methylimidazo[4,5-b]pyridin-7-yl]amino]-N-ethylpyridine-2-carboxamide (CID 138571385) is 5-[[5-[(1-cyclopropyl-2,2,2-trifluoroethyl)amino]-3-methylimidazo[4,5-b]pyridin-7-yl]amino]-N-ethylpyridine-2-carboxamide.
What is the SMILES notation for 5-[[5-[(1-cyclopropyl-2,2,2-trifluoroethyl)amino]-3-methylimidazo[4,5-b]pyridin-7-yl]amino]-N-ethylpyridine-2-carboxamide?
The canonical SMILES for 5-[[5-[(1-cyclopropyl-2,2,2-trifluoroethyl)amino]-3-methylimidazo[4,5-b]pyridin-7-yl]amino]-N-ethylpyridine-2-carboxamide is CCNC(=O)c1ccc(Nc2cc(NC(C3CC3)C(F)(F)F)nc3c2ncn3C)cn1.
What is the InChIKey of 5-[[5-[(1-cyclopropyl-2,2,2-trifluoroethyl)amino]-3-methylimidazo[4,5-b]pyridin-7-yl]amino]-N-ethylpyridine-2-carboxamide?
The InChIKey is KXJKEFLKZXHITO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3N7O/c1-3-24-19(31)13-7-6-12(9-25-13)27-14-8-15(29-18-16(14)26-10-30(18)2)28-17(11-4-5-11)20(21,22)23/h6-11,17H,3-5H2,1-2H3,(H,24,31)(H2,27,28,29).
What are the key properties of 5-[[5-[(1-cyclopropyl-2,2,2-trifluoroethyl)amino]-3-methylimidazo[4,5-b]pyridin-7-yl]amino]-N-ethylpyridine-2-carboxamide?
5-[[5-[(1-cyclopropyl-2,2,2-trifluoroethyl)amino]-3-methylimidazo[4,5-b]pyridin-7-yl]amino]-N-ethylpyridine-2-carboxamide has a molecular weight of 433.44 g/mol, XLogP of 3.61, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-[(1-cyclopropyl-2,2,2-trifluoroethyl)amino]-3-methylimidazo[4,5-b]pyridin-7-yl]amino]-N-ethylpyridine-2-carboxamide is sourced from PubChem (CID 138571385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).