methyl N-[6-[2-(trifluoromethyl)anilino]-1H-imidazo[4,5-b]pyridin-2-yl]carbamate

C15H12F3N5O2 — CID 57267188

IUPACmethyl N-[6-[2-(trifluoromethyl)anilino]-1H-imidazo[4,5-b]pyridin-2-yl]carbamate
SMILESCOC(=O)Nc1nc2ncc(Nc3ccccc3C(F)(F)F)cc2[nH]1
InChIInChI=1S/C15H12F3N5O2/c1-25-14(24)23-13-21-11-6-8(7-19-12(11)22-13)20-10-5-3-2-4-9(10)15(16,17)18/h2-7,20H,1H3,(H2,19,21,22,23,24)
InChIKeyOWJLMTLGUWZTAH-UHFFFAOYSA-N
MW351.29 g/mol
LogP3.90
Rot. Bonds3

About methyl N-[6-[2-(trifluoromethyl)anilino]-1H-imidazo[4,5-b]pyridin-2-yl]carbamate

methyl N-[6-[2-(trifluoromethyl)anilino]-1H-imidazo[4,5-b]pyridin-2-yl]carbamate (PubChem CID 57267188) has the molecular formula C15H12F3N5O2 and a molecular weight of 351.29 g/mol. Its IUPAC name is methyl N-[6-[2-(trifluoromethyl)anilino]-1H-imidazo[4,5-b]pyridin-2-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[6-[2-(trifluoromethyl)anilino]-1H-imidazo[4,5-b]pyridin-2-yl]carbamate
PubChem CID57267188
Molecular FormulaC15H12F3N5O2
Molecular Weight351.29 g/mol
Exact Mass351.09
IUPAC Namemethyl N-[6-[2-(trifluoromethyl)anilino]-1H-imidazo[4,5-b]pyridin-2-yl]carbamate
SMILESCOC(=O)Nc1nc2ncc(Nc3ccccc3C(F)(F)F)cc2[nH]1
InChIInChI=1S/C15H12F3N5O2/c1-25-14(24)23-13-21-11-6-8(7-19-12(11)22-13)20-10-5-3-2-4-9(10)15(16,17)18/h2-7,20H,1H3,(H2,19,21,22,23,24)
InChIKeyOWJLMTLGUWZTAH-UHFFFAOYSA-N
XLogP3.90
TPSA91.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.29
LogP ≤ 53.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl N-[6-[2-(trifluoromethyl)anilino]-1H-imidazo[4,5-b]pyridin-2-yl]carbamate
CID 57168992
methyl N-[6-[2-(trifluoromethyl)anilino]pyridazin-3-yl]carbamate
CID 113048941
ethyl N-[6-(3-chloroanilino)-1H-imidazo[4,5-b]pyridin-2-yl]carbamate
CID 22570397
methyl N-[6-(3-methylphenyl)sulfanyl-1H-imidazo[4,5-b]pyridin-2-yl]carbamate
CID 22570399
ethyl N-[5-[2-(trifluoromethyl)anilino]-2-pyridinyl]carbamate
CID 113034834
ethyl N-[6-(4-nitroanilino)-1H-imidazo[4,5-b]pyridin-2-yl]carbamate
CID 22570468
6-methoxy-N-[2-(trifluoromethyl)phenyl]-1H-benzimidazol-2-amine
CID 82562585
5-N-(2-methoxyethyl)-2-N-[2-(trifluoromethyl)phenyl]-3H-benzimidazole-2,5-diamine
CID 141181204
5-(4-methoxyanilino)-N-[2-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 109199921
ethyl N-[6-[2-(trifluoromethyl)anilino]-3-pyridinyl]carbamate
CID 113020178
5-[2-(trifluoromethyl)anilino]pyridine-2-carboxamide
CID 67532141
methyl N-[6-(2-tert-butylanilino)-3-pyridinyl]carbamate
CID 113018094

Frequently Asked Questions

What is the IUPAC name of methyl N-[6-[2-(trifluoromethyl)anilino]-1H-imidazo[4,5-b]pyridin-2-yl]carbamate?
The IUPAC name of methyl N-[6-[2-(trifluoromethyl)anilino]-1H-imidazo[4,5-b]pyridin-2-yl]carbamate (CID 57267188) is methyl N-[6-[2-(trifluoromethyl)anilino]-1H-imidazo[4,5-b]pyridin-2-yl]carbamate.
What is the SMILES notation for methyl N-[6-[2-(trifluoromethyl)anilino]-1H-imidazo[4,5-b]pyridin-2-yl]carbamate?
The canonical SMILES for methyl N-[6-[2-(trifluoromethyl)anilino]-1H-imidazo[4,5-b]pyridin-2-yl]carbamate is COC(=O)Nc1nc2ncc(Nc3ccccc3C(F)(F)F)cc2[nH]1.
What is the InChIKey of methyl N-[6-[2-(trifluoromethyl)anilino]-1H-imidazo[4,5-b]pyridin-2-yl]carbamate?
The InChIKey is OWJLMTLGUWZTAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3N5O2/c1-25-14(24)23-13-21-11-6-8(7-19-12(11)22-13)20-10-5-3-2-4-9(10)15(16,17)18/h2-7,20H,1H3,(H2,19,21,22,23,24).
What are the key properties of methyl N-[6-[2-(trifluoromethyl)anilino]-1H-imidazo[4,5-b]pyridin-2-yl]carbamate?
methyl N-[6-[2-(trifluoromethyl)anilino]-1H-imidazo[4,5-b]pyridin-2-yl]carbamate has a molecular weight of 351.29 g/mol, XLogP of 3.90, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[6-[2-(trifluoromethyl)anilino]-1H-imidazo[4,5-b]pyridin-2-yl]carbamate is sourced from PubChem (CID 57267188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).