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

C20H20F2N6O — CID 67975868

IUPAC1-cyclopropyl-3-[[1-(4,4-difluorobutyl)imidazo[4,5-b]pyridin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one
SMILESO=c1n(Cc2nc3ncccc3n2CCCC(F)F)c2cnccc2n1C1CC1
InChIInChI=1S/C20H20F2N6O/c21-17(22)4-2-10-26-15-3-1-8-24-19(15)25-18(26)12-27-16-11-23-9-7-14(16)28(20(27)29)13-5-6-13/h1,3,7-9,11,13,17H,2,4-6,10,12H2
InChIKeyRHBWAMOUJCVRNG-UHFFFAOYSA-N
MW398.42 g/mol
LogP3.37
Rot. Bonds7

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

1-cyclopropyl-3-[[1-(4,4-difluorobutyl)imidazo[4,5-b]pyridin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one (PubChem CID 67975868) has the molecular formula C20H20F2N6O and a molecular weight of 398.42 g/mol. Its IUPAC name is 1-cyclopropyl-3-[[1-(4,4-difluorobutyl)imidazo[4,5-b]pyridin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one.

Molecular Properties

Compound Name1-cyclopropyl-3-[[1-(4,4-difluorobutyl)imidazo[4,5-b]pyridin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one
PubChem CID67975868
Molecular FormulaC20H20F2N6O
Molecular Weight398.42 g/mol
Exact Mass398.17
IUPAC Name1-cyclopropyl-3-[[1-(4,4-difluorobutyl)imidazo[4,5-b]pyridin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one
SMILESO=c1n(Cc2nc3ncccc3n2CCCC(F)F)c2cnccc2n1C1CC1
InChIInChI=1S/C20H20F2N6O/c21-17(22)4-2-10-26-15-3-1-8-24-19(15)25-18(26)12-27-16-11-23-9-7-14(16)28(20(27)29)13-5-6-13/h1,3,7-9,11,13,17H,2,4-6,10,12H2
InChIKeyRHBWAMOUJCVRNG-UHFFFAOYSA-N
XLogP3.37
TPSA70.53 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.42
LogP ≤ 53.37
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-difluorobutyl)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-difluorobutyl)imidazo[4,5-b]pyridin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one (CID 67975868) is 1-cyclopropyl-3-[[1-(4,4-difluorobutyl)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-difluorobutyl)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-difluorobutyl)imidazo[4,5-b]pyridin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one is O=c1n(Cc2nc3ncccc3n2CCCC(F)F)c2cnccc2n1C1CC1.
What is the InChIKey of 1-cyclopropyl-3-[[1-(4,4-difluorobutyl)imidazo[4,5-b]pyridin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one?
The InChIKey is RHBWAMOUJCVRNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N6O/c21-17(22)4-2-10-26-15-3-1-8-24-19(15)25-18(26)12-27-16-11-23-9-7-14(16)28(20(27)29)13-5-6-13/h1,3,7-9,11,13,17H,2,4-6,10,12H2.
What are the key properties of 1-cyclopropyl-3-[[1-(4,4-difluorobutyl)imidazo[4,5-b]pyridin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one?
1-cyclopropyl-3-[[1-(4,4-difluorobutyl)imidazo[4,5-b]pyridin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one has a molecular weight of 398.42 g/mol, XLogP of 3.37, 7 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-difluorobutyl)imidazo[4,5-b]pyridin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one is sourced from PubChem (CID 67975868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).