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

C24H18FN5O — CID 23548198

IUPAC1-[(2-fluorophenyl)methyl]-3-[5-(2-methoxyphenyl)pyrimidin-2-yl]pyrazolo[5,4-b]pyridine
SMILESCOc1ccccc1-c1cnc(-c2nn(Cc3ccccc3F)c3ncccc23)nc1
InChIInChI=1S/C24H18FN5O/c1-31-21-11-5-3-8-18(21)17-13-27-23(28-14-17)22-19-9-6-12-26-24(19)30(29-22)15-16-7-2-4-10-20(16)25/h2-14H,15H2,1H3
InChIKeyYXKIPCLRDWMHPV-UHFFFAOYSA-N
MW411.44 g/mol
LogP4.75
Rot. Bonds5

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

1-[(2-fluorophenyl)methyl]-3-[5-(2-methoxyphenyl)pyrimidin-2-yl]pyrazolo[5,4-b]pyridine (PubChem CID 23548198) has the molecular formula C24H18FN5O and a molecular weight of 411.44 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methyl]-3-[5-(2-methoxyphenyl)pyrimidin-2-yl]pyrazolo[5,4-b]pyridine.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methyl]-3-[5-(2-methoxyphenyl)pyrimidin-2-yl]pyrazolo[5,4-b]pyridine
PubChem CID23548198
Molecular FormulaC24H18FN5O
Molecular Weight411.44 g/mol
Exact Mass411.15
IUPAC Name1-[(2-fluorophenyl)methyl]-3-[5-(2-methoxyphenyl)pyrimidin-2-yl]pyrazolo[5,4-b]pyridine
SMILESCOc1ccccc1-c1cnc(-c2nn(Cc3ccccc3F)c3ncccc23)nc1
InChIInChI=1S/C24H18FN5O/c1-31-21-11-5-3-8-18(21)17-13-27-23(28-14-17)22-19-9-6-12-26-24(19)30(29-22)15-16-7-2-4-10-20(16)25/h2-14H,15H2,1H3
InChIKeyYXKIPCLRDWMHPV-UHFFFAOYSA-N
XLogP4.75
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.44
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methyl]-3-[5-(2-methoxyphenyl)pyrimidin-2-yl]pyrazolo[5,4-b]pyridine?
The IUPAC name of 1-[(2-fluorophenyl)methyl]-3-[5-(2-methoxyphenyl)pyrimidin-2-yl]pyrazolo[5,4-b]pyridine (CID 23548198) is 1-[(2-fluorophenyl)methyl]-3-[5-(2-methoxyphenyl)pyrimidin-2-yl]pyrazolo[5,4-b]pyridine.
What is the SMILES notation for 1-[(2-fluorophenyl)methyl]-3-[5-(2-methoxyphenyl)pyrimidin-2-yl]pyrazolo[5,4-b]pyridine?
The canonical SMILES for 1-[(2-fluorophenyl)methyl]-3-[5-(2-methoxyphenyl)pyrimidin-2-yl]pyrazolo[5,4-b]pyridine is COc1ccccc1-c1cnc(-c2nn(Cc3ccccc3F)c3ncccc23)nc1.
What is the InChIKey of 1-[(2-fluorophenyl)methyl]-3-[5-(2-methoxyphenyl)pyrimidin-2-yl]pyrazolo[5,4-b]pyridine?
The InChIKey is YXKIPCLRDWMHPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18FN5O/c1-31-21-11-5-3-8-18(21)17-13-27-23(28-14-17)22-19-9-6-12-26-24(19)30(29-22)15-16-7-2-4-10-20(16)25/h2-14H,15H2,1H3.
What are the key properties of 1-[(2-fluorophenyl)methyl]-3-[5-(2-methoxyphenyl)pyrimidin-2-yl]pyrazolo[5,4-b]pyridine?
1-[(2-fluorophenyl)methyl]-3-[5-(2-methoxyphenyl)pyrimidin-2-yl]pyrazolo[5,4-b]pyridine has a molecular weight of 411.44 g/mol, XLogP of 4.75, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methyl]-3-[5-(2-methoxyphenyl)pyrimidin-2-yl]pyrazolo[5,4-b]pyridine is sourced from PubChem (CID 23548198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).