N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)-1-(oxetan-3-yl)imidazo[4,5-c]pyridin-4-amine

C20H24F2N6O — CID 139300538

IUPACN-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)-1-(oxetan-3-yl)imidazo[4,5-c]pyridin-4-amine
SMILESCc1cc(C)n(-c2cc3c(ncn3C3COC3)c(NC3CCC(F)(F)CC3)n2)n1
InChIInChI=1S/C20H24F2N6O/c1-12-7-13(2)28(26-12)17-8-16-18(23-11-27(16)15-9-29-10-15)19(25-17)24-14-3-5-20(21,22)6-4-14/h7-8,11,14-15H,3-6,9-10H2,1-2H3,(H,24,25)
InChIKeyKDENCTHKSLPYBE-UHFFFAOYSA-N
MW402.45 g/mol
LogP3.79
Rot. Bonds4

About N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)-1-(oxetan-3-yl)imidazo[4,5-c]pyridin-4-amine

N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)-1-(oxetan-3-yl)imidazo[4,5-c]pyridin-4-amine (PubChem CID 139300538) has the molecular formula C20H24F2N6O and a molecular weight of 402.45 g/mol. Its IUPAC name is N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)-1-(oxetan-3-yl)imidazo[4,5-c]pyridin-4-amine.

Molecular Properties

Compound NameN-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)-1-(oxetan-3-yl)imidazo[4,5-c]pyridin-4-amine
PubChem CID139300538
Molecular FormulaC20H24F2N6O
Molecular Weight402.45 g/mol
Exact Mass402.20
IUPAC NameN-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)-1-(oxetan-3-yl)imidazo[4,5-c]pyridin-4-amine
SMILESCc1cc(C)n(-c2cc3c(ncn3C3COC3)c(NC3CCC(F)(F)CC3)n2)n1
InChIInChI=1S/C20H24F2N6O/c1-12-7-13(2)28(26-12)17-8-16-18(23-11-27(16)15-9-29-10-15)19(25-17)24-14-3-5-20(21,22)6-4-14/h7-8,11,14-15H,3-6,9-10H2,1-2H3,(H,24,25)
InChIKeyKDENCTHKSLPYBE-UHFFFAOYSA-N
XLogP3.79
TPSA69.79 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)-1-(oxetan-3-yl)imidazo[4,5-c]pyridin-4-amine?
The IUPAC name of N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)-1-(oxetan-3-yl)imidazo[4,5-c]pyridin-4-amine (CID 139300538) is N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)-1-(oxetan-3-yl)imidazo[4,5-c]pyridin-4-amine.
What is the SMILES notation for N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)-1-(oxetan-3-yl)imidazo[4,5-c]pyridin-4-amine?
The canonical SMILES for N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)-1-(oxetan-3-yl)imidazo[4,5-c]pyridin-4-amine is Cc1cc(C)n(-c2cc3c(ncn3C3COC3)c(NC3CCC(F)(F)CC3)n2)n1.
What is the InChIKey of N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)-1-(oxetan-3-yl)imidazo[4,5-c]pyridin-4-amine?
The InChIKey is KDENCTHKSLPYBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F2N6O/c1-12-7-13(2)28(26-12)17-8-16-18(23-11-27(16)15-9-29-10-15)19(25-17)24-14-3-5-20(21,22)6-4-14/h7-8,11,14-15H,3-6,9-10H2,1-2H3,(H,24,25).
What are the key properties of N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)-1-(oxetan-3-yl)imidazo[4,5-c]pyridin-4-amine?
N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)-1-(oxetan-3-yl)imidazo[4,5-c]pyridin-4-amine has a molecular weight of 402.45 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)-1-(oxetan-3-yl)imidazo[4,5-c]pyridin-4-amine is sourced from PubChem (CID 139300538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).