5-[1-(azepan-4-yl)pyrazol-4-yl]-3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]pyridin-2-amine

C22H23F2N9O — CID 25258273

IUPAC5-[1-(azepan-4-yl)pyrazol-4-yl]-3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]pyridin-2-amine
SMILESCOc1ccc(-n2nnnc2-c2cc(-c3cnn(C4CCCNCC4)c3)cnc2N)c(F)c1F
InChIInChI=1S/C22H23F2N9O/c1-34-18-5-4-17(19(23)20(18)24)33-22(29-30-31-33)16-9-13(10-27-21(16)25)14-11-28-32(12-14)15-3-2-7-26-8-6-15/h4-5,9-12,15,26H,2-3,6-8H2,1H3,(H2,25,27)
InChIKeyHOIRPJWXUABPPM-UHFFFAOYSA-N
MW467.48 g/mol
LogP2.77
Rot. Bonds5

About 5-[1-(azepan-4-yl)pyrazol-4-yl]-3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]pyridin-2-amine

5-[1-(azepan-4-yl)pyrazol-4-yl]-3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]pyridin-2-amine (PubChem CID 25258273) has the molecular formula C22H23F2N9O and a molecular weight of 467.48 g/mol. Its IUPAC name is 5-[1-(azepan-4-yl)pyrazol-4-yl]-3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]pyridin-2-amine.

Molecular Properties

Compound Name5-[1-(azepan-4-yl)pyrazol-4-yl]-3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]pyridin-2-amine
PubChem CID25258273
Molecular FormulaC22H23F2N9O
Molecular Weight467.48 g/mol
Exact Mass467.20
IUPAC Name5-[1-(azepan-4-yl)pyrazol-4-yl]-3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]pyridin-2-amine
SMILESCOc1ccc(-n2nnnc2-c2cc(-c3cnn(C4CCCNCC4)c3)cnc2N)c(F)c1F
InChIInChI=1S/C22H23F2N9O/c1-34-18-5-4-17(19(23)20(18)24)33-22(29-30-31-33)16-9-13(10-27-21(16)25)14-11-28-32(12-14)15-3-2-7-26-8-6-15/h4-5,9-12,15,26H,2-3,6-8H2,1H3,(H2,25,27)
InChIKeyHOIRPJWXUABPPM-UHFFFAOYSA-N
XLogP2.77
TPSA121.59 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.48
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 5-[1-(azepan-4-yl)pyrazol-4-yl]-3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]pyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[1-(azepan-4-yl)pyrazol-4-yl]-3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]pyridin-2-amine?
The IUPAC name of 5-[1-(azepan-4-yl)pyrazol-4-yl]-3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]pyridin-2-amine (CID 25258273) is 5-[1-(azepan-4-yl)pyrazol-4-yl]-3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]pyridin-2-amine.
What is the SMILES notation for 5-[1-(azepan-4-yl)pyrazol-4-yl]-3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]pyridin-2-amine?
The canonical SMILES for 5-[1-(azepan-4-yl)pyrazol-4-yl]-3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]pyridin-2-amine is COc1ccc(-n2nnnc2-c2cc(-c3cnn(C4CCCNCC4)c3)cnc2N)c(F)c1F.
What is the InChIKey of 5-[1-(azepan-4-yl)pyrazol-4-yl]-3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]pyridin-2-amine?
The InChIKey is HOIRPJWXUABPPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F2N9O/c1-34-18-5-4-17(19(23)20(18)24)33-22(29-30-31-33)16-9-13(10-27-21(16)25)14-11-28-32(12-14)15-3-2-7-26-8-6-15/h4-5,9-12,15,26H,2-3,6-8H2,1H3,(H2,25,27).
What are the key properties of 5-[1-(azepan-4-yl)pyrazol-4-yl]-3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]pyridin-2-amine?
5-[1-(azepan-4-yl)pyrazol-4-yl]-3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]pyridin-2-amine has a molecular weight of 467.48 g/mol, XLogP of 2.77, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(azepan-4-yl)pyrazol-4-yl]-3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]pyridin-2-amine is sourced from PubChem (CID 25258273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).