N-[2-(difluoromethoxy)-4-(1-methylsulfonylpiperidin-4-yl)phenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine

C21H25F2N5O3S — CID 86693677

IUPACN-[2-(difluoromethoxy)-4-(1-methylsulfonylpiperidin-4-yl)phenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine
SMILESCN(c1cc2c(cn1)ncn2C)c1ccc(C2CCN(S(C)(=O)=O)CC2)cc1OC(F)F
InChIInChI=1S/C21H25F2N5O3S/c1-26-13-25-16-12-24-20(11-18(16)26)27(2)17-5-4-15(10-19(17)31-21(22)23)14-6-8-28(9-7-14)32(3,29)30/h4-5,10-14,21H,6-9H2,1-3H3
InChIKeyYTFLDAHODPLDNV-UHFFFAOYSA-N
MW465.53 g/mol
LogP3.48
Rot. Bonds6

About N-[2-(difluoromethoxy)-4-(1-methylsulfonylpiperidin-4-yl)phenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine

N-[2-(difluoromethoxy)-4-(1-methylsulfonylpiperidin-4-yl)phenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine (PubChem CID 86693677) has the molecular formula C21H25F2N5O3S and a molecular weight of 465.53 g/mol. Its IUPAC name is N-[2-(difluoromethoxy)-4-(1-methylsulfonylpiperidin-4-yl)phenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine.

Molecular Properties

Compound NameN-[2-(difluoromethoxy)-4-(1-methylsulfonylpiperidin-4-yl)phenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine
PubChem CID86693677
Molecular FormulaC21H25F2N5O3S
Molecular Weight465.53 g/mol
Exact Mass465.16
IUPAC NameN-[2-(difluoromethoxy)-4-(1-methylsulfonylpiperidin-4-yl)phenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine
SMILESCN(c1cc2c(cn1)ncn2C)c1ccc(C2CCN(S(C)(=O)=O)CC2)cc1OC(F)F
InChIInChI=1S/C21H25F2N5O3S/c1-26-13-25-16-12-24-20(11-18(16)26)27(2)17-5-4-15(10-19(17)31-21(22)23)14-6-8-28(9-7-14)32(3,29)30/h4-5,10-14,21H,6-9H2,1-3H3
InChIKeyYTFLDAHODPLDNV-UHFFFAOYSA-N
XLogP3.48
TPSA80.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.53
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-(difluoromethoxy)-4-(1-methylsulfonylpiperidin-4-yl)phenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine?
The IUPAC name of N-[2-(difluoromethoxy)-4-(1-methylsulfonylpiperidin-4-yl)phenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine (CID 86693677) is N-[2-(difluoromethoxy)-4-(1-methylsulfonylpiperidin-4-yl)phenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine.
What is the SMILES notation for N-[2-(difluoromethoxy)-4-(1-methylsulfonylpiperidin-4-yl)phenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine?
The canonical SMILES for N-[2-(difluoromethoxy)-4-(1-methylsulfonylpiperidin-4-yl)phenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine is CN(c1cc2c(cn1)ncn2C)c1ccc(C2CCN(S(C)(=O)=O)CC2)cc1OC(F)F.
What is the InChIKey of N-[2-(difluoromethoxy)-4-(1-methylsulfonylpiperidin-4-yl)phenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine?
The InChIKey is YTFLDAHODPLDNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25F2N5O3S/c1-26-13-25-16-12-24-20(11-18(16)26)27(2)17-5-4-15(10-19(17)31-21(22)23)14-6-8-28(9-7-14)32(3,29)30/h4-5,10-14,21H,6-9H2,1-3H3.
What are the key properties of N-[2-(difluoromethoxy)-4-(1-methylsulfonylpiperidin-4-yl)phenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine?
N-[2-(difluoromethoxy)-4-(1-methylsulfonylpiperidin-4-yl)phenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine has a molecular weight of 465.53 g/mol, XLogP of 3.48, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(difluoromethoxy)-4-(1-methylsulfonylpiperidin-4-yl)phenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine is sourced from PubChem (CID 86693677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).