3-[1-(2,3-difluorophenyl)tetrazol-5-yl]-5-[1-[4-(ethylamino)butyl]pyrazol-4-yl]pyridin-2-amine

C21H23F2N9 — CID 71162402

IUPAC3-[1-(2,3-difluorophenyl)tetrazol-5-yl]-5-[1-[4-(ethylamino)butyl]pyrazol-4-yl]pyridin-2-amine
SMILESCCNCCCCn1cc(-c2cnc(N)c(-c3nnnn3-c3cccc(F)c3F)c2)cn1
InChIInChI=1S/C21H23F2N9/c1-2-25-8-3-4-9-31-13-15(12-27-31)14-10-16(20(24)26-11-14)21-28-29-30-32(21)18-7-5-6-17(22)19(18)23/h5-7,10-13,25H,2-4,8-9H2,1H3,(H2,24,26)
InChIKeyAHXOVXBZGPROQM-UHFFFAOYSA-N
MW439.47 g/mol
LogP2.84
Rot. Bonds9

About 3-[1-(2,3-difluorophenyl)tetrazol-5-yl]-5-[1-[4-(ethylamino)butyl]pyrazol-4-yl]pyridin-2-amine

3-[1-(2,3-difluorophenyl)tetrazol-5-yl]-5-[1-[4-(ethylamino)butyl]pyrazol-4-yl]pyridin-2-amine (PubChem CID 71162402) has the molecular formula C21H23F2N9 and a molecular weight of 439.47 g/mol. Its IUPAC name is 3-[1-(2,3-difluorophenyl)tetrazol-5-yl]-5-[1-[4-(ethylamino)butyl]pyrazol-4-yl]pyridin-2-amine.

Molecular Properties

Compound Name3-[1-(2,3-difluorophenyl)tetrazol-5-yl]-5-[1-[4-(ethylamino)butyl]pyrazol-4-yl]pyridin-2-amine
PubChem CID71162402
Molecular FormulaC21H23F2N9
Molecular Weight439.47 g/mol
Exact Mass439.20
IUPAC Name3-[1-(2,3-difluorophenyl)tetrazol-5-yl]-5-[1-[4-(ethylamino)butyl]pyrazol-4-yl]pyridin-2-amine
SMILESCCNCCCCn1cc(-c2cnc(N)c(-c3nnnn3-c3cccc(F)c3F)c2)cn1
InChIInChI=1S/C21H23F2N9/c1-2-25-8-3-4-9-31-13-15(12-27-31)14-10-16(20(24)26-11-14)21-28-29-30-32(21)18-7-5-6-17(22)19(18)23/h5-7,10-13,25H,2-4,8-9H2,1H3,(H2,24,26)
InChIKeyAHXOVXBZGPROQM-UHFFFAOYSA-N
XLogP2.84
TPSA112.36 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.47
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-[1-(2,3-difluorophenyl)tetrazol-5-yl]-5-[1-[4-(ethylamino)butyl]pyrazol-4-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 3-[1-(2,3-difluorophenyl)tetrazol-5-yl]-5-[1-[4-(ethylamino)butyl]pyrazol-4-yl]pyridin-2-amine?
The IUPAC name of 3-[1-(2,3-difluorophenyl)tetrazol-5-yl]-5-[1-[4-(ethylamino)butyl]pyrazol-4-yl]pyridin-2-amine (CID 71162402) is 3-[1-(2,3-difluorophenyl)tetrazol-5-yl]-5-[1-[4-(ethylamino)butyl]pyrazol-4-yl]pyridin-2-amine.
What is the SMILES notation for 3-[1-(2,3-difluorophenyl)tetrazol-5-yl]-5-[1-[4-(ethylamino)butyl]pyrazol-4-yl]pyridin-2-amine?
The canonical SMILES for 3-[1-(2,3-difluorophenyl)tetrazol-5-yl]-5-[1-[4-(ethylamino)butyl]pyrazol-4-yl]pyridin-2-amine is CCNCCCCn1cc(-c2cnc(N)c(-c3nnnn3-c3cccc(F)c3F)c2)cn1.
What is the InChIKey of 3-[1-(2,3-difluorophenyl)tetrazol-5-yl]-5-[1-[4-(ethylamino)butyl]pyrazol-4-yl]pyridin-2-amine?
The InChIKey is AHXOVXBZGPROQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F2N9/c1-2-25-8-3-4-9-31-13-15(12-27-31)14-10-16(20(24)26-11-14)21-28-29-30-32(21)18-7-5-6-17(22)19(18)23/h5-7,10-13,25H,2-4,8-9H2,1H3,(H2,24,26).
What are the key properties of 3-[1-(2,3-difluorophenyl)tetrazol-5-yl]-5-[1-[4-(ethylamino)butyl]pyrazol-4-yl]pyridin-2-amine?
3-[1-(2,3-difluorophenyl)tetrazol-5-yl]-5-[1-[4-(ethylamino)butyl]pyrazol-4-yl]pyridin-2-amine has a molecular weight of 439.47 g/mol, XLogP of 2.84, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2,3-difluorophenyl)tetrazol-5-yl]-5-[1-[4-(ethylamino)butyl]pyrazol-4-yl]pyridin-2-amine is sourced from PubChem (CID 71162402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).