3-cyclopropyl-N-[[3-(trifluoromethyl)phenyl]methyl]imidazo[4,5-b]pyridine-6-carboxamide

C18H15F3N4O — CID 175640437

IUPAC3-cyclopropyl-N-[[3-(trifluoromethyl)phenyl]methyl]imidazo[4,5-b]pyridine-6-carboxamide
SMILESO=C(NCc1cccc(C(F)(F)F)c1)c1cnc2c(c1)ncn2C1CC1
InChIInChI=1S/C18H15F3N4O/c19-18(20,21)13-3-1-2-11(6-13)8-23-17(26)12-7-15-16(22-9-12)25(10-24-15)14-4-5-14/h1-3,6-7,9-10,14H,4-5,8H2,(H,23,26)
InChIKeyUTKKUTQEIKGSHZ-UHFFFAOYSA-N
MW360.34 g/mol
LogP3.71
Rot. Bonds4

About 3-cyclopropyl-N-[[3-(trifluoromethyl)phenyl]methyl]imidazo[4,5-b]pyridine-6-carboxamide

3-cyclopropyl-N-[[3-(trifluoromethyl)phenyl]methyl]imidazo[4,5-b]pyridine-6-carboxamide (PubChem CID 175640437) has the molecular formula C18H15F3N4O and a molecular weight of 360.34 g/mol. Its IUPAC name is 3-cyclopropyl-N-[[3-(trifluoromethyl)phenyl]methyl]imidazo[4,5-b]pyridine-6-carboxamide.

Molecular Properties

Compound Name3-cyclopropyl-N-[[3-(trifluoromethyl)phenyl]methyl]imidazo[4,5-b]pyridine-6-carboxamide
PubChem CID175640437
Molecular FormulaC18H15F3N4O
Molecular Weight360.34 g/mol
Exact Mass360.12
IUPAC Name3-cyclopropyl-N-[[3-(trifluoromethyl)phenyl]methyl]imidazo[4,5-b]pyridine-6-carboxamide
SMILESO=C(NCc1cccc(C(F)(F)F)c1)c1cnc2c(c1)ncn2C1CC1
InChIInChI=1S/C18H15F3N4O/c19-18(20,21)13-3-1-2-11(6-13)8-23-17(26)12-7-15-16(22-9-12)25(10-24-15)14-4-5-14/h1-3,6-7,9-10,14H,4-5,8H2,(H,23,26)
InChIKeyUTKKUTQEIKGSHZ-UHFFFAOYSA-N
XLogP3.71
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.34
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyclopropyl-N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]imidazo[4,5-b]pyridine-6-carboxamide
CID 176506052
(3-cyclopropylimidazo[4,5-b]pyridin-6-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 175642980
2-pyridin-4-yl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-5-carboxamide
CID 74246545
6-methoxy-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide
CID 27009221
N-[[3-(trifluoromethyl)phenyl]methyl]quinoline-6-carboxamide
CID 59192094
3-(trifluoromethyl)-N-[[3-[[[3-(trifluoromethyl)benzoyl]amino]methyl]phenyl]methyl]benzamide
CID 4076220
N-[1-(3-chlorophenyl)cyclopropyl]-3-cyclopropylimidazo[4,5-b]pyridine-6-carboxamide
CID 176500437
3-cyclopentyl-N-[(4,6-dimethyl-3-pyridinyl)methyl]imidazo[4,5-b]pyridine-6-carboxamide
CID 176505473
N-(1-benzylpyrrolidin-3-yl)-3-cyclopropylimidazo[4,5-b]pyridine-6-carboxamide
CID 176506963
3-cyclopropyl-N-(2-morpholin-4-ylethyl)imidazo[4,5-b]pyridine-6-carboxamide
CID 175644669
N-[[3-(trifluoromethyl)phenyl]methyl]furan-3-carboxamide
CID 27515082
3-methyl-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]imidazo[4,5-b]pyridine-6-carboxamide
CID 176501294

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-[[3-(trifluoromethyl)phenyl]methyl]imidazo[4,5-b]pyridine-6-carboxamide?
The IUPAC name of 3-cyclopropyl-N-[[3-(trifluoromethyl)phenyl]methyl]imidazo[4,5-b]pyridine-6-carboxamide (CID 175640437) is 3-cyclopropyl-N-[[3-(trifluoromethyl)phenyl]methyl]imidazo[4,5-b]pyridine-6-carboxamide.
What is the SMILES notation for 3-cyclopropyl-N-[[3-(trifluoromethyl)phenyl]methyl]imidazo[4,5-b]pyridine-6-carboxamide?
The canonical SMILES for 3-cyclopropyl-N-[[3-(trifluoromethyl)phenyl]methyl]imidazo[4,5-b]pyridine-6-carboxamide is O=C(NCc1cccc(C(F)(F)F)c1)c1cnc2c(c1)ncn2C1CC1.
What is the InChIKey of 3-cyclopropyl-N-[[3-(trifluoromethyl)phenyl]methyl]imidazo[4,5-b]pyridine-6-carboxamide?
The InChIKey is UTKKUTQEIKGSHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N4O/c19-18(20,21)13-3-1-2-11(6-13)8-23-17(26)12-7-15-16(22-9-12)25(10-24-15)14-4-5-14/h1-3,6-7,9-10,14H,4-5,8H2,(H,23,26).
What are the key properties of 3-cyclopropyl-N-[[3-(trifluoromethyl)phenyl]methyl]imidazo[4,5-b]pyridine-6-carboxamide?
3-cyclopropyl-N-[[3-(trifluoromethyl)phenyl]methyl]imidazo[4,5-b]pyridine-6-carboxamide has a molecular weight of 360.34 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-[[3-(trifluoromethyl)phenyl]methyl]imidazo[4,5-b]pyridine-6-carboxamide is sourced from PubChem (CID 175640437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).