2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-6-methyl-N-(2-methylbutyl)pyrimidin-4-amine

C23H25FN6 — CID 58591865

IUPAC2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-6-methyl-N-(2-methylbutyl)pyrimidin-4-amine
SMILESCCC(C)CNc1cc(C)nc(-c2nn(Cc3ccccc3F)c3ncccc23)n1
InChIInChI=1S/C23H25FN6/c1-4-15(2)13-26-20-12-16(3)27-22(28-20)21-18-9-7-11-25-23(18)30(29-21)14-17-8-5-6-10-19(17)24/h5-12,15H,4,13-14H2,1-3H3,(H,26,27,28)
InChIKeyDRQABPGBJLFQOE-UHFFFAOYSA-N
MW404.49 g/mol
LogP4.84
Rot. Bonds7

About 2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-6-methyl-N-(2-methylbutyl)pyrimidin-4-amine

2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-6-methyl-N-(2-methylbutyl)pyrimidin-4-amine (PubChem CID 58591865) has the molecular formula C23H25FN6 and a molecular weight of 404.49 g/mol. Its IUPAC name is 2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-6-methyl-N-(2-methylbutyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-6-methyl-N-(2-methylbutyl)pyrimidin-4-amine
PubChem CID58591865
Molecular FormulaC23H25FN6
Molecular Weight404.49 g/mol
Exact Mass404.21
IUPAC Name2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-6-methyl-N-(2-methylbutyl)pyrimidin-4-amine
SMILESCCC(C)CNc1cc(C)nc(-c2nn(Cc3ccccc3F)c3ncccc23)n1
InChIInChI=1S/C23H25FN6/c1-4-15(2)13-26-20-12-16(3)27-22(28-20)21-18-9-7-11-25-23(18)30(29-21)14-17-8-5-6-10-19(17)24/h5-12,15H,4,13-14H2,1-3H3,(H,26,27,28)
InChIKeyDRQABPGBJLFQOE-UHFFFAOYSA-N
XLogP4.84
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-6-methyl-N-(2-methylbutyl)pyrimidin-4-amine?
The IUPAC name of 2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-6-methyl-N-(2-methylbutyl)pyrimidin-4-amine (CID 58591865) is 2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-6-methyl-N-(2-methylbutyl)pyrimidin-4-amine.
What is the SMILES notation for 2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-6-methyl-N-(2-methylbutyl)pyrimidin-4-amine?
The canonical SMILES for 2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-6-methyl-N-(2-methylbutyl)pyrimidin-4-amine is CCC(C)CNc1cc(C)nc(-c2nn(Cc3ccccc3F)c3ncccc23)n1.
What is the InChIKey of 2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-6-methyl-N-(2-methylbutyl)pyrimidin-4-amine?
The InChIKey is DRQABPGBJLFQOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN6/c1-4-15(2)13-26-20-12-16(3)27-22(28-20)21-18-9-7-11-25-23(18)30(29-21)14-17-8-5-6-10-19(17)24/h5-12,15H,4,13-14H2,1-3H3,(H,26,27,28).
What are the key properties of 2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-6-methyl-N-(2-methylbutyl)pyrimidin-4-amine?
2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-6-methyl-N-(2-methylbutyl)pyrimidin-4-amine has a molecular weight of 404.49 g/mol, XLogP of 4.84, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-6-methyl-N-(2-methylbutyl)pyrimidin-4-amine is sourced from PubChem (CID 58591865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).