1-cyclopropyl-3-[[1-(4,4,4-trifluorobutyl)imidazo[4,5-b]pyridin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one

C20H19F3N6O — CID 67975389

IUPAC1-cyclopropyl-3-[[1-(4,4,4-trifluorobutyl)imidazo[4,5-b]pyridin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one
SMILESO=c1n(Cc2nc3ncccc3n2CCCC(F)(F)F)c2cnccc2n1C1CC1
InChIInChI=1S/C20H19F3N6O/c21-20(22,23)7-2-10-27-15-3-1-8-25-18(15)26-17(27)12-28-16-11-24-9-6-14(16)29(19(28)30)13-4-5-13/h1,3,6,8-9,11,13H,2,4-5,7,10,12H2
InChIKeyGMGKDHRQYZWRPX-UHFFFAOYSA-N
MW416.41 g/mol
LogP3.67
Rot. Bonds6

About 1-cyclopropyl-3-[[1-(4,4,4-trifluorobutyl)imidazo[4,5-b]pyridin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one

1-cyclopropyl-3-[[1-(4,4,4-trifluorobutyl)imidazo[4,5-b]pyridin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one (PubChem CID 67975389) has the molecular formula C20H19F3N6O and a molecular weight of 416.41 g/mol. Its IUPAC name is 1-cyclopropyl-3-[[1-(4,4,4-trifluorobutyl)imidazo[4,5-b]pyridin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one.

Molecular Properties

Compound Name1-cyclopropyl-3-[[1-(4,4,4-trifluorobutyl)imidazo[4,5-b]pyridin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one
PubChem CID67975389
Molecular FormulaC20H19F3N6O
Molecular Weight416.41 g/mol
Exact Mass416.16
IUPAC Name1-cyclopropyl-3-[[1-(4,4,4-trifluorobutyl)imidazo[4,5-b]pyridin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one
SMILESO=c1n(Cc2nc3ncccc3n2CCCC(F)(F)F)c2cnccc2n1C1CC1
InChIInChI=1S/C20H19F3N6O/c21-20(22,23)7-2-10-27-15-3-1-8-25-18(15)26-17(27)12-28-16-11-24-9-6-14(16)29(19(28)30)13-4-5-13/h1,3,6,8-9,11,13H,2,4-5,7,10,12H2
InChIKeyGMGKDHRQYZWRPX-UHFFFAOYSA-N
XLogP3.67
TPSA70.53 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.41
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[[1-(4,4,4-trifluorobutyl)imidazo[4,5-b]pyridin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one?
The IUPAC name of 1-cyclopropyl-3-[[1-(4,4,4-trifluorobutyl)imidazo[4,5-b]pyridin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one (CID 67975389) is 1-cyclopropyl-3-[[1-(4,4,4-trifluorobutyl)imidazo[4,5-b]pyridin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one.
What is the SMILES notation for 1-cyclopropyl-3-[[1-(4,4,4-trifluorobutyl)imidazo[4,5-b]pyridin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one?
The canonical SMILES for 1-cyclopropyl-3-[[1-(4,4,4-trifluorobutyl)imidazo[4,5-b]pyridin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one is O=c1n(Cc2nc3ncccc3n2CCCC(F)(F)F)c2cnccc2n1C1CC1.
What is the InChIKey of 1-cyclopropyl-3-[[1-(4,4,4-trifluorobutyl)imidazo[4,5-b]pyridin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one?
The InChIKey is GMGKDHRQYZWRPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N6O/c21-20(22,23)7-2-10-27-15-3-1-8-25-18(15)26-17(27)12-28-16-11-24-9-6-14(16)29(19(28)30)13-4-5-13/h1,3,6,8-9,11,13H,2,4-5,7,10,12H2.
What are the key properties of 1-cyclopropyl-3-[[1-(4,4,4-trifluorobutyl)imidazo[4,5-b]pyridin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one?
1-cyclopropyl-3-[[1-(4,4,4-trifluorobutyl)imidazo[4,5-b]pyridin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one has a molecular weight of 416.41 g/mol, XLogP of 3.67, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[[1-(4,4,4-trifluorobutyl)imidazo[4,5-b]pyridin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one is sourced from PubChem (CID 67975389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).