5-N-cyclobutyl-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidine-4,5,6-triamine

C21H21FN8 — CID 66635083

IUPAC5-N-cyclobutyl-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidine-4,5,6-triamine
SMILESNc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc(N)c1NC1CCC1
InChIInChI=1S/C21H21FN8/c22-15-9-2-1-5-12(15)11-30-21-14(8-4-10-25-21)16(29-30)20-27-18(23)17(19(24)28-20)26-13-6-3-7-13/h1-2,4-5,8-10,13,26H,3,6-7,11H2,(H4,23,24,27,28)
InChIKeyVNMSALOHSOLOGV-UHFFFAOYSA-N
MW404.45 g/mol
LogP3.20
Rot. Bonds5

About 5-N-cyclobutyl-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidine-4,5,6-triamine

5-N-cyclobutyl-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidine-4,5,6-triamine (PubChem CID 66635083) has the molecular formula C21H21FN8 and a molecular weight of 404.45 g/mol. Its IUPAC name is 5-N-cyclobutyl-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name5-N-cyclobutyl-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidine-4,5,6-triamine
PubChem CID66635083
Molecular FormulaC21H21FN8
Molecular Weight404.45 g/mol
Exact Mass404.19
IUPAC Name5-N-cyclobutyl-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidine-4,5,6-triamine
SMILESNc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc(N)c1NC1CCC1
InChIInChI=1S/C21H21FN8/c22-15-9-2-1-5-12(15)11-30-21-14(8-4-10-25-21)16(29-30)20-27-18(23)17(19(24)28-20)26-13-6-3-7-13/h1-2,4-5,8-10,13,26H,3,6-7,11H2,(H4,23,24,27,28)
InChIKeyVNMSALOHSOLOGV-UHFFFAOYSA-N
XLogP3.20
TPSA120.56 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.45
LogP ≤ 53.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 5-N-cyclobutyl-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidine-4,5,6-triamine 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-N-cyclobutyl-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidine-4,5,6-triamine?
The IUPAC name of 5-N-cyclobutyl-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidine-4,5,6-triamine (CID 66635083) is 5-N-cyclobutyl-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidine-4,5,6-triamine.
What is the SMILES notation for 5-N-cyclobutyl-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidine-4,5,6-triamine?
The canonical SMILES for 5-N-cyclobutyl-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidine-4,5,6-triamine is Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc(N)c1NC1CCC1.
What is the InChIKey of 5-N-cyclobutyl-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidine-4,5,6-triamine?
The InChIKey is VNMSALOHSOLOGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN8/c22-15-9-2-1-5-12(15)11-30-21-14(8-4-10-25-21)16(29-30)20-27-18(23)17(19(24)28-20)26-13-6-3-7-13/h1-2,4-5,8-10,13,26H,3,6-7,11H2,(H4,23,24,27,28).
What are the key properties of 5-N-cyclobutyl-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidine-4,5,6-triamine?
5-N-cyclobutyl-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidine-4,5,6-triamine has a molecular weight of 404.45 g/mol, XLogP of 3.20, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-cyclobutyl-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidine-4,5,6-triamine is sourced from PubChem (CID 66635083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).