1-[3,5-difluoro-4-[3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-b]pyridin-5-yl]phenyl]-N-methylmethanamine

C25H26F2N6 — CID 134327642

IUPAC1-[3,5-difluoro-4-[3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-b]pyridin-5-yl]phenyl]-N-methylmethanamine
SMILESCNCc1cc(F)c(-c2ccc3[nH]nc(-c4ccc(N5CCN(C)CC5)cc4)c3n2)c(F)c1
InChIInChI=1S/C25H26F2N6/c1-28-15-16-13-19(26)23(20(27)14-16)21-7-8-22-25(29-21)24(31-30-22)17-3-5-18(6-4-17)33-11-9-32(2)10-12-33/h3-8,13-14,28H,9-12,15H2,1-2H3,(H,30,31)
InChIKeyZVYXXUDALHUYQS-UHFFFAOYSA-N
MW448.52 g/mol
LogP4.04
Rot. Bonds5

About 1-[3,5-difluoro-4-[3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-b]pyridin-5-yl]phenyl]-N-methylmethanamine

1-[3,5-difluoro-4-[3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-b]pyridin-5-yl]phenyl]-N-methylmethanamine (PubChem CID 134327642) has the molecular formula C25H26F2N6 and a molecular weight of 448.52 g/mol. Its IUPAC name is 1-[3,5-difluoro-4-[3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-b]pyridin-5-yl]phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3,5-difluoro-4-[3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-b]pyridin-5-yl]phenyl]-N-methylmethanamine
PubChem CID134327642
Molecular FormulaC25H26F2N6
Molecular Weight448.52 g/mol
Exact Mass448.22
IUPAC Name1-[3,5-difluoro-4-[3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-b]pyridin-5-yl]phenyl]-N-methylmethanamine
SMILESCNCc1cc(F)c(-c2ccc3[nH]nc(-c4ccc(N5CCN(C)CC5)cc4)c3n2)c(F)c1
InChIInChI=1S/C25H26F2N6/c1-28-15-16-13-19(26)23(20(27)14-16)21-7-8-22-25(29-21)24(31-30-22)17-3-5-18(6-4-17)33-11-9-32(2)10-12-33/h3-8,13-14,28H,9-12,15H2,1-2H3,(H,30,31)
InChIKeyZVYXXUDALHUYQS-UHFFFAOYSA-N
XLogP4.04
TPSA60.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.52
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[3,5-difluoro-4-[3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-b]pyridin-5-yl]phenyl]-N-methylmethanamine 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 1-[3,5-difluoro-4-[3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-b]pyridin-5-yl]phenyl]-N-methylmethanamine?
The IUPAC name of 1-[3,5-difluoro-4-[3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-b]pyridin-5-yl]phenyl]-N-methylmethanamine (CID 134327642) is 1-[3,5-difluoro-4-[3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-b]pyridin-5-yl]phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[3,5-difluoro-4-[3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-b]pyridin-5-yl]phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[3,5-difluoro-4-[3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-b]pyridin-5-yl]phenyl]-N-methylmethanamine is CNCc1cc(F)c(-c2ccc3[nH]nc(-c4ccc(N5CCN(C)CC5)cc4)c3n2)c(F)c1.
What is the InChIKey of 1-[3,5-difluoro-4-[3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-b]pyridin-5-yl]phenyl]-N-methylmethanamine?
The InChIKey is ZVYXXUDALHUYQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F2N6/c1-28-15-16-13-19(26)23(20(27)14-16)21-7-8-22-25(29-21)24(31-30-22)17-3-5-18(6-4-17)33-11-9-32(2)10-12-33/h3-8,13-14,28H,9-12,15H2,1-2H3,(H,30,31).
What are the key properties of 1-[3,5-difluoro-4-[3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-b]pyridin-5-yl]phenyl]-N-methylmethanamine?
1-[3,5-difluoro-4-[3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-b]pyridin-5-yl]phenyl]-N-methylmethanamine has a molecular weight of 448.52 g/mol, XLogP of 4.04, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,5-difluoro-4-[3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-b]pyridin-5-yl]phenyl]-N-methylmethanamine is sourced from PubChem (CID 134327642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).