1-[(2-fluorophenyl)methyl]-3-[5-[(3R)-3-methoxypiperidin-1-yl]pyrimidin-2-yl]pyrazolo[5,4-b]pyridine

C23H23FN6O — CID 58677853

IUPAC1-[(2-fluorophenyl)methyl]-3-[5-[(3R)-3-methoxypiperidin-1-yl]pyrimidin-2-yl]pyrazolo[5,4-b]pyridine
SMILESCO[C@@H]1CCCN(c2cnc(-c3nn(Cc4ccccc4F)c4ncccc34)nc2)C1
InChIInChI=1S/C23H23FN6O/c1-31-18-7-5-11-29(15-18)17-12-26-22(27-13-17)21-19-8-4-10-25-23(19)30(28-21)14-16-6-2-3-9-20(16)24/h2-4,6,8-10,12-13,18H,5,7,11,14-15H2,1H3/t18-/m1/s1
InChIKeyFDNHRKXPQNJJNC-GOSISDBHSA-N
MW418.48 g/mol
LogP3.69
Rot. Bonds5

About 1-[(2-fluorophenyl)methyl]-3-[5-[(3R)-3-methoxypiperidin-1-yl]pyrimidin-2-yl]pyrazolo[5,4-b]pyridine

1-[(2-fluorophenyl)methyl]-3-[5-[(3R)-3-methoxypiperidin-1-yl]pyrimidin-2-yl]pyrazolo[5,4-b]pyridine (PubChem CID 58677853) has the molecular formula C23H23FN6O and a molecular weight of 418.48 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methyl]-3-[5-[(3R)-3-methoxypiperidin-1-yl]pyrimidin-2-yl]pyrazolo[5,4-b]pyridine.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methyl]-3-[5-[(3R)-3-methoxypiperidin-1-yl]pyrimidin-2-yl]pyrazolo[5,4-b]pyridine
PubChem CID58677853
Molecular FormulaC23H23FN6O
Molecular Weight418.48 g/mol
Exact Mass418.19
IUPAC Name1-[(2-fluorophenyl)methyl]-3-[5-[(3R)-3-methoxypiperidin-1-yl]pyrimidin-2-yl]pyrazolo[5,4-b]pyridine
SMILESCO[C@@H]1CCCN(c2cnc(-c3nn(Cc4ccccc4F)c4ncccc34)nc2)C1
InChIInChI=1S/C23H23FN6O/c1-31-18-7-5-11-29(15-18)17-12-26-22(27-13-17)21-19-8-4-10-25-23(19)30(28-21)14-16-6-2-3-9-20(16)24/h2-4,6,8-10,12-13,18H,5,7,11,14-15H2,1H3/t18-/m1/s1
InChIKeyFDNHRKXPQNJJNC-GOSISDBHSA-N
XLogP3.69
TPSA68.96 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.48
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methyl]-3-[5-[(3R)-3-methoxypiperidin-1-yl]pyrimidin-2-yl]pyrazolo[5,4-b]pyridine?
The IUPAC name of 1-[(2-fluorophenyl)methyl]-3-[5-[(3R)-3-methoxypiperidin-1-yl]pyrimidin-2-yl]pyrazolo[5,4-b]pyridine (CID 58677853) is 1-[(2-fluorophenyl)methyl]-3-[5-[(3R)-3-methoxypiperidin-1-yl]pyrimidin-2-yl]pyrazolo[5,4-b]pyridine.
What is the SMILES notation for 1-[(2-fluorophenyl)methyl]-3-[5-[(3R)-3-methoxypiperidin-1-yl]pyrimidin-2-yl]pyrazolo[5,4-b]pyridine?
The canonical SMILES for 1-[(2-fluorophenyl)methyl]-3-[5-[(3R)-3-methoxypiperidin-1-yl]pyrimidin-2-yl]pyrazolo[5,4-b]pyridine is CO[C@@H]1CCCN(c2cnc(-c3nn(Cc4ccccc4F)c4ncccc34)nc2)C1.
What is the InChIKey of 1-[(2-fluorophenyl)methyl]-3-[5-[(3R)-3-methoxypiperidin-1-yl]pyrimidin-2-yl]pyrazolo[5,4-b]pyridine?
The InChIKey is FDNHRKXPQNJJNC-GOSISDBHSA-N. The full InChI is InChI=1S/C23H23FN6O/c1-31-18-7-5-11-29(15-18)17-12-26-22(27-13-17)21-19-8-4-10-25-23(19)30(28-21)14-16-6-2-3-9-20(16)24/h2-4,6,8-10,12-13,18H,5,7,11,14-15H2,1H3/t18-/m1/s1.
What are the key properties of 1-[(2-fluorophenyl)methyl]-3-[5-[(3R)-3-methoxypiperidin-1-yl]pyrimidin-2-yl]pyrazolo[5,4-b]pyridine?
1-[(2-fluorophenyl)methyl]-3-[5-[(3R)-3-methoxypiperidin-1-yl]pyrimidin-2-yl]pyrazolo[5,4-b]pyridine has a molecular weight of 418.48 g/mol, XLogP of 3.69, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methyl]-3-[5-[(3R)-3-methoxypiperidin-1-yl]pyrimidin-2-yl]pyrazolo[5,4-b]pyridine is sourced from PubChem (CID 58677853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).