N-butyl-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-2-fluoro-6-(trifluoromethyl)benzamide

C23H24F4N4O — CID 18734578

IUPACN-butyl-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-2-fluoro-6-(trifluoromethyl)benzamide
SMILESCCCCN(Cc1nc2cccnc2n1CC1CC1)C(=O)c1c(F)cccc1C(F)(F)F
InChIInChI=1S/C23H24F4N4O/c1-2-3-12-30(22(32)20-16(23(25,26)27)6-4-7-17(20)24)14-19-29-18-8-5-11-28-21(18)31(19)13-15-9-10-15/h4-8,11,15H,2-3,9-10,12-14H2,1H3
InChIKeyYGQPRMISKSZJKE-UHFFFAOYSA-N
MW448.46 g/mol
LogP5.44
Rot. Bonds8

About N-butyl-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-2-fluoro-6-(trifluoromethyl)benzamide

N-butyl-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-2-fluoro-6-(trifluoromethyl)benzamide (PubChem CID 18734578) has the molecular formula C23H24F4N4O and a molecular weight of 448.46 g/mol. Its IUPAC name is N-butyl-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-2-fluoro-6-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-butyl-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-2-fluoro-6-(trifluoromethyl)benzamide
PubChem CID18734578
Molecular FormulaC23H24F4N4O
Molecular Weight448.46 g/mol
Exact Mass448.19
IUPAC NameN-butyl-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-2-fluoro-6-(trifluoromethyl)benzamide
SMILESCCCCN(Cc1nc2cccnc2n1CC1CC1)C(=O)c1c(F)cccc1C(F)(F)F
InChIInChI=1S/C23H24F4N4O/c1-2-3-12-30(22(32)20-16(23(25,26)27)6-4-7-17(20)24)14-19-29-18-8-5-11-28-21(18)31(19)13-15-9-10-15/h4-8,11,15H,2-3,9-10,12-14H2,1H3
InChIKeyYGQPRMISKSZJKE-UHFFFAOYSA-N
XLogP5.44
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.46
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-2-chloro-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-6-fluorobenzamide
CID 18734412
N-butyl-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-2,3,5,6-tetrafluorobenzamide
CID 18734576
N-butyl-5-chloro-2-methoxy-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-3-ethoxy-N-pentylthiophene-2-carboxamide;N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-2-fluoro-N-pentyl-6-(trifluoromethyl)benzamide;5-fluoro-2-methyl-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;5-fluoro-2-methyl-N-pentyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide
CID 159340275
N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-4-hexyl-N-propylbenzamide
CID 18734179
N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N,2-dimethylbenzamide
CID 18734184
N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2,4-difluoro-N-pentylbenzamide
CID 18734067
N-butyl-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide
CID 18734574
4-fluoro-N-propyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide
CID 18733180
3-fluoro-2-methyl-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide
CID 18733085
N-butyl-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2-fluorobenzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-3-methoxy-N-(2-methylpropyl)benzamide;N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-2-fluoro-N-methylbenzamide;N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-4-fluoro-N-propylbenzamide;2-fluoro-N-pentyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide
CID 159885764
N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-3-methyl-N-pentylbenzamide
CID 18734097
N-butyl-2,3-dichloro-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide
CID 18734384

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-2-fluoro-6-(trifluoromethyl)benzamide?
The IUPAC name of N-butyl-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-2-fluoro-6-(trifluoromethyl)benzamide (CID 18734578) is N-butyl-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-2-fluoro-6-(trifluoromethyl)benzamide.
What is the SMILES notation for N-butyl-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-2-fluoro-6-(trifluoromethyl)benzamide?
The canonical SMILES for N-butyl-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-2-fluoro-6-(trifluoromethyl)benzamide is CCCCN(Cc1nc2cccnc2n1CC1CC1)C(=O)c1c(F)cccc1C(F)(F)F.
What is the InChIKey of N-butyl-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-2-fluoro-6-(trifluoromethyl)benzamide?
The InChIKey is YGQPRMISKSZJKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F4N4O/c1-2-3-12-30(22(32)20-16(23(25,26)27)6-4-7-17(20)24)14-19-29-18-8-5-11-28-21(18)31(19)13-15-9-10-15/h4-8,11,15H,2-3,9-10,12-14H2,1H3.
What are the key properties of N-butyl-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-2-fluoro-6-(trifluoromethyl)benzamide?
N-butyl-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-2-fluoro-6-(trifluoromethyl)benzamide has a molecular weight of 448.46 g/mol, XLogP of 5.44, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-2-fluoro-6-(trifluoromethyl)benzamide is sourced from PubChem (CID 18734578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).