3-[1-(2,3-difluorophenyl)tetrazol-5-yl]-5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyridin-2-amine

C24H24F2N8 — CID 24762464

IUPAC3-[1-(2,3-difluorophenyl)tetrazol-5-yl]-5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyridin-2-amine
SMILESCN1CCN(Cc2ccc(-c3cnc(N)c(-c4nnnn4-c4cccc(F)c4F)c3)cc2)CC1
InChIInChI=1S/C24H24F2N8/c1-32-9-11-33(12-10-32)15-16-5-7-17(8-6-16)18-13-19(23(27)28-14-18)24-29-30-31-34(24)21-4-2-3-20(25)22(21)26/h2-8,13-14H,9-12,15H2,1H3,(H2,27,28)
InChIKeyZQDHVNZQBFWVPF-UHFFFAOYSA-N
MW462.51 g/mol
LogP3.00
Rot. Bonds5

About 3-[1-(2,3-difluorophenyl)tetrazol-5-yl]-5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyridin-2-amine

3-[1-(2,3-difluorophenyl)tetrazol-5-yl]-5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyridin-2-amine (PubChem CID 24762464) has the molecular formula C24H24F2N8 and a molecular weight of 462.51 g/mol. Its IUPAC name is 3-[1-(2,3-difluorophenyl)tetrazol-5-yl]-5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyridin-2-amine.

Molecular Properties

Compound Name3-[1-(2,3-difluorophenyl)tetrazol-5-yl]-5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyridin-2-amine
PubChem CID24762464
Molecular FormulaC24H24F2N8
Molecular Weight462.51 g/mol
Exact Mass462.21
IUPAC Name3-[1-(2,3-difluorophenyl)tetrazol-5-yl]-5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyridin-2-amine
SMILESCN1CCN(Cc2ccc(-c3cnc(N)c(-c4nnnn4-c4cccc(F)c4F)c3)cc2)CC1
InChIInChI=1S/C24H24F2N8/c1-32-9-11-33(12-10-32)15-16-5-7-17(8-6-16)18-13-19(23(27)28-14-18)24-29-30-31-34(24)21-4-2-3-20(25)22(21)26/h2-8,13-14H,9-12,15H2,1H3,(H2,27,28)
InChIKeyZQDHVNZQBFWVPF-UHFFFAOYSA-N
XLogP3.00
TPSA88.99 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.51
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3-[1-(2,3-difluorophenyl)tetrazol-5-yl]-5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]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-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyridin-2-amine?
The IUPAC name of 3-[1-(2,3-difluorophenyl)tetrazol-5-yl]-5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyridin-2-amine (CID 24762464) is 3-[1-(2,3-difluorophenyl)tetrazol-5-yl]-5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyridin-2-amine.
What is the SMILES notation for 3-[1-(2,3-difluorophenyl)tetrazol-5-yl]-5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyridin-2-amine?
The canonical SMILES for 3-[1-(2,3-difluorophenyl)tetrazol-5-yl]-5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyridin-2-amine is CN1CCN(Cc2ccc(-c3cnc(N)c(-c4nnnn4-c4cccc(F)c4F)c3)cc2)CC1.
What is the InChIKey of 3-[1-(2,3-difluorophenyl)tetrazol-5-yl]-5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyridin-2-amine?
The InChIKey is ZQDHVNZQBFWVPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F2N8/c1-32-9-11-33(12-10-32)15-16-5-7-17(8-6-16)18-13-19(23(27)28-14-18)24-29-30-31-34(24)21-4-2-3-20(25)22(21)26/h2-8,13-14H,9-12,15H2,1H3,(H2,27,28).
What are the key properties of 3-[1-(2,3-difluorophenyl)tetrazol-5-yl]-5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyridin-2-amine?
3-[1-(2,3-difluorophenyl)tetrazol-5-yl]-5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyridin-2-amine has a molecular weight of 462.51 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2,3-difluorophenyl)tetrazol-5-yl]-5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyridin-2-amine is sourced from PubChem (CID 24762464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).