N-[2-(difluoromethoxy)-4-piperidin-4-ylphenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine

C20H23F2N5O — CID 86693676

IUPACN-[2-(difluoromethoxy)-4-piperidin-4-ylphenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine
SMILESCN(c1cc2c(cn1)ncn2C)c1ccc(C2CCNCC2)cc1OC(F)F
InChIInChI=1S/C20H23F2N5O/c1-26-12-25-15-11-24-19(10-17(15)26)27(2)16-4-3-14(9-18(16)28-20(21)22)13-5-7-23-8-6-13/h3-4,9-13,20,23H,5-8H2,1-2H3
InChIKeySBNXNXDNEYYDEW-UHFFFAOYSA-N
MW387.43 g/mol
LogP3.80
Rot. Bonds5

About N-[2-(difluoromethoxy)-4-piperidin-4-ylphenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine

N-[2-(difluoromethoxy)-4-piperidin-4-ylphenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine (PubChem CID 86693676) has the molecular formula C20H23F2N5O and a molecular weight of 387.43 g/mol. Its IUPAC name is N-[2-(difluoromethoxy)-4-piperidin-4-ylphenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine.

Molecular Properties

Compound NameN-[2-(difluoromethoxy)-4-piperidin-4-ylphenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine
PubChem CID86693676
Molecular FormulaC20H23F2N5O
Molecular Weight387.43 g/mol
Exact Mass387.19
IUPAC NameN-[2-(difluoromethoxy)-4-piperidin-4-ylphenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine
SMILESCN(c1cc2c(cn1)ncn2C)c1ccc(C2CCNCC2)cc1OC(F)F
InChIInChI=1S/C20H23F2N5O/c1-26-12-25-15-11-24-19(10-17(15)26)27(2)16-4-3-14(9-18(16)28-20(21)22)13-5-7-23-8-6-13/h3-4,9-13,20,23H,5-8H2,1-2H3
InChIKeySBNXNXDNEYYDEW-UHFFFAOYSA-N
XLogP3.80
TPSA55.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.43
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(difluoromethoxy)-4-piperidin-4-ylphenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine?
The IUPAC name of N-[2-(difluoromethoxy)-4-piperidin-4-ylphenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine (CID 86693676) is N-[2-(difluoromethoxy)-4-piperidin-4-ylphenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine.
What is the SMILES notation for N-[2-(difluoromethoxy)-4-piperidin-4-ylphenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine?
The canonical SMILES for N-[2-(difluoromethoxy)-4-piperidin-4-ylphenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine is CN(c1cc2c(cn1)ncn2C)c1ccc(C2CCNCC2)cc1OC(F)F.
What is the InChIKey of N-[2-(difluoromethoxy)-4-piperidin-4-ylphenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine?
The InChIKey is SBNXNXDNEYYDEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F2N5O/c1-26-12-25-15-11-24-19(10-17(15)26)27(2)16-4-3-14(9-18(16)28-20(21)22)13-5-7-23-8-6-13/h3-4,9-13,20,23H,5-8H2,1-2H3.
What are the key properties of N-[2-(difluoromethoxy)-4-piperidin-4-ylphenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine?
N-[2-(difluoromethoxy)-4-piperidin-4-ylphenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine has a molecular weight of 387.43 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(difluoromethoxy)-4-piperidin-4-ylphenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine is sourced from PubChem (CID 86693676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).