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

C16H14F3N5O2 — CID 57168992

IUPACethyl N-[6-[2-(trifluoromethyl)anilino]-1H-imidazo[4,5-b]pyridin-2-yl]carbamate
SMILESCCOC(=O)Nc1nc2ncc(Nc3ccccc3C(F)(F)F)cc2[nH]1
InChIInChI=1S/C16H14F3N5O2/c1-2-26-15(25)24-14-22-12-7-9(8-20-13(12)23-14)21-11-6-4-3-5-10(11)16(17,18)19/h3-8,21H,2H2,1H3,(H2,20,22,23,24,25)
InChIKeyRPOKTDNFJGXHIU-UHFFFAOYSA-N
MW365.32 g/mol
LogP4.29
Rot. Bonds4

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

ethyl N-[6-[2-(trifluoromethyl)anilino]-1H-imidazo[4,5-b]pyridin-2-yl]carbamate (PubChem CID 57168992) has the molecular formula C16H14F3N5O2 and a molecular weight of 365.32 g/mol. Its IUPAC name is ethyl N-[6-[2-(trifluoromethyl)anilino]-1H-imidazo[4,5-b]pyridin-2-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[6-[2-(trifluoromethyl)anilino]-1H-imidazo[4,5-b]pyridin-2-yl]carbamate
PubChem CID57168992
Molecular FormulaC16H14F3N5O2
Molecular Weight365.32 g/mol
Exact Mass365.11
IUPAC Nameethyl N-[6-[2-(trifluoromethyl)anilino]-1H-imidazo[4,5-b]pyridin-2-yl]carbamate
SMILESCCOC(=O)Nc1nc2ncc(Nc3ccccc3C(F)(F)F)cc2[nH]1
InChIInChI=1S/C16H14F3N5O2/c1-2-26-15(25)24-14-22-12-7-9(8-20-13(12)23-14)21-11-6-4-3-5-10(11)16(17,18)19/h3-8,21H,2H2,1H3,(H2,20,22,23,24,25)
InChIKeyRPOKTDNFJGXHIU-UHFFFAOYSA-N
XLogP4.29
TPSA91.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.32
LogP ≤ 54.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

methyl N-[6-[2-(trifluoromethyl)anilino]-1H-imidazo[4,5-b]pyridin-2-yl]carbamate
CID 57267188
ethyl N-[6-(3-chloroanilino)-1H-imidazo[4,5-b]pyridin-2-yl]carbamate
CID 22570397
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
ethyl N-[6-[2-(trifluoromethyl)anilino]-3-pyridinyl]carbamate
CID 113020178
ethyl N-[6-(4-methylphenoxy)-1H-imidazo[4,5-b]pyridin-2-yl]carbamate
CID 22570394
ethyl N-[6-(3-methylphenyl)sulfanyl-1H-imidazo[4,5-b]pyridin-2-yl]carbamate
CID 22570393
4-[[2-(methoxycarbonylamino)-1H-imidazo[4,5-b]pyridin-6-yl]amino]benzoic acid
CID 22570496
ethyl N-[3-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]carbamate
CID 30011094
ethyl N-[6-[4-chloro-2-(trifluoromethyl)anilino]-3-pyridinyl]carbamate
CID 113022044
ethyl 2-[2-(trifluoromethyl)anilino]propanoate
CID 55031551
5-[2-(trifluoromethyl)anilino]pyridine-2-carboxamide
CID 67532141

Frequently Asked Questions

What is the IUPAC name of ethyl N-[6-[2-(trifluoromethyl)anilino]-1H-imidazo[4,5-b]pyridin-2-yl]carbamate?
The IUPAC name of ethyl N-[6-[2-(trifluoromethyl)anilino]-1H-imidazo[4,5-b]pyridin-2-yl]carbamate (CID 57168992) is ethyl N-[6-[2-(trifluoromethyl)anilino]-1H-imidazo[4,5-b]pyridin-2-yl]carbamate.
What is the SMILES notation for ethyl N-[6-[2-(trifluoromethyl)anilino]-1H-imidazo[4,5-b]pyridin-2-yl]carbamate?
The canonical SMILES for ethyl N-[6-[2-(trifluoromethyl)anilino]-1H-imidazo[4,5-b]pyridin-2-yl]carbamate is CCOC(=O)Nc1nc2ncc(Nc3ccccc3C(F)(F)F)cc2[nH]1.
What is the InChIKey of ethyl N-[6-[2-(trifluoromethyl)anilino]-1H-imidazo[4,5-b]pyridin-2-yl]carbamate?
The InChIKey is RPOKTDNFJGXHIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N5O2/c1-2-26-15(25)24-14-22-12-7-9(8-20-13(12)23-14)21-11-6-4-3-5-10(11)16(17,18)19/h3-8,21H,2H2,1H3,(H2,20,22,23,24,25).
What are the key properties of ethyl N-[6-[2-(trifluoromethyl)anilino]-1H-imidazo[4,5-b]pyridin-2-yl]carbamate?
ethyl N-[6-[2-(trifluoromethyl)anilino]-1H-imidazo[4,5-b]pyridin-2-yl]carbamate has a molecular weight of 365.32 g/mol, XLogP of 4.29, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[6-[2-(trifluoromethyl)anilino]-1H-imidazo[4,5-b]pyridin-2-yl]carbamate is sourced from PubChem (CID 57168992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).