1-[3-fluoro-5-methyl-4-[3-[1-(oxan-4-yl)pyrazol-4-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]-N-methylmethanamine

C23H25FN6O — CID 134327932

IUPAC1-[3-fluoro-5-methyl-4-[3-[1-(oxan-4-yl)pyrazol-4-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]-N-methylmethanamine
SMILESCNCc1cc(C)c(-c2cc3c(-c4cnn(C5CCOCC5)c4)n[nH]c3cn2)c(F)c1
InChIInChI=1S/C23H25FN6O/c1-14-7-15(10-25-2)8-19(24)22(14)20-9-18-21(12-26-20)28-29-23(18)16-11-27-30(13-16)17-3-5-31-6-4-17/h7-9,11-13,17,25H,3-6,10H2,1-2H3,(H,28,29)
InChIKeyJTVWIQNUQUXUQN-UHFFFAOYSA-N
MW420.49 g/mol
LogP4.01
Rot. Bonds5

About 1-[3-fluoro-5-methyl-4-[3-[1-(oxan-4-yl)pyrazol-4-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]-N-methylmethanamine

1-[3-fluoro-5-methyl-4-[3-[1-(oxan-4-yl)pyrazol-4-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]-N-methylmethanamine (PubChem CID 134327932) has the molecular formula C23H25FN6O and a molecular weight of 420.49 g/mol. Its IUPAC name is 1-[3-fluoro-5-methyl-4-[3-[1-(oxan-4-yl)pyrazol-4-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-fluoro-5-methyl-4-[3-[1-(oxan-4-yl)pyrazol-4-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]-N-methylmethanamine
PubChem CID134327932
Molecular FormulaC23H25FN6O
Molecular Weight420.49 g/mol
Exact Mass420.21
IUPAC Name1-[3-fluoro-5-methyl-4-[3-[1-(oxan-4-yl)pyrazol-4-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]-N-methylmethanamine
SMILESCNCc1cc(C)c(-c2cc3c(-c4cnn(C5CCOCC5)c4)n[nH]c3cn2)c(F)c1
InChIInChI=1S/C23H25FN6O/c1-14-7-15(10-25-2)8-19(24)22(14)20-9-18-21(12-26-20)28-29-23(18)16-11-27-30(13-16)17-3-5-31-6-4-17/h7-9,11-13,17,25H,3-6,10H2,1-2H3,(H,28,29)
InChIKeyJTVWIQNUQUXUQN-UHFFFAOYSA-N
XLogP4.01
TPSA80.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[3-fluoro-5-methyl-4-[3-[1-(oxan-4-yl)pyrazol-4-yl]-1H-pyrazolo[3,4-c]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-fluoro-5-methyl-4-[3-[1-(oxan-4-yl)pyrazol-4-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]-N-methylmethanamine?
The IUPAC name of 1-[3-fluoro-5-methyl-4-[3-[1-(oxan-4-yl)pyrazol-4-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]-N-methylmethanamine (CID 134327932) is 1-[3-fluoro-5-methyl-4-[3-[1-(oxan-4-yl)pyrazol-4-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-fluoro-5-methyl-4-[3-[1-(oxan-4-yl)pyrazol-4-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[3-fluoro-5-methyl-4-[3-[1-(oxan-4-yl)pyrazol-4-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]-N-methylmethanamine is CNCc1cc(C)c(-c2cc3c(-c4cnn(C5CCOCC5)c4)n[nH]c3cn2)c(F)c1.
What is the InChIKey of 1-[3-fluoro-5-methyl-4-[3-[1-(oxan-4-yl)pyrazol-4-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]-N-methylmethanamine?
The InChIKey is JTVWIQNUQUXUQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN6O/c1-14-7-15(10-25-2)8-19(24)22(14)20-9-18-21(12-26-20)28-29-23(18)16-11-27-30(13-16)17-3-5-31-6-4-17/h7-9,11-13,17,25H,3-6,10H2,1-2H3,(H,28,29).
What are the key properties of 1-[3-fluoro-5-methyl-4-[3-[1-(oxan-4-yl)pyrazol-4-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]-N-methylmethanamine?
1-[3-fluoro-5-methyl-4-[3-[1-(oxan-4-yl)pyrazol-4-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]-N-methylmethanamine has a molecular weight of 420.49 g/mol, XLogP of 4.01, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-5-methyl-4-[3-[1-(oxan-4-yl)pyrazol-4-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]-N-methylmethanamine is sourced from PubChem (CID 134327932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).