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

C24H18FN5O — CID 23548200

IUPAC1-[(2-fluorophenyl)methyl]-3-[5-(3-methoxyphenyl)pyrimidin-2-yl]pyrazolo[5,4-b]pyridine
SMILESCOc1cccc(-c2cnc(-c3nn(Cc4ccccc4F)c4ncccc34)nc2)c1
InChIInChI=1S/C24H18FN5O/c1-31-19-8-4-7-16(12-19)18-13-27-23(28-14-18)22-20-9-5-11-26-24(20)30(29-22)15-17-6-2-3-10-21(17)25/h2-14H,15H2,1H3
InChIKeyFOIZCYUQOOXZOF-UHFFFAOYSA-N
MW411.44 g/mol
LogP4.75
Rot. Bonds5

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

1-[(2-fluorophenyl)methyl]-3-[5-(3-methoxyphenyl)pyrimidin-2-yl]pyrazolo[5,4-b]pyridine (PubChem CID 23548200) has the molecular formula C24H18FN5O and a molecular weight of 411.44 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methyl]-3-[5-(3-methoxyphenyl)pyrimidin-2-yl]pyrazolo[5,4-b]pyridine.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methyl]-3-[5-(3-methoxyphenyl)pyrimidin-2-yl]pyrazolo[5,4-b]pyridine
PubChem CID23548200
Molecular FormulaC24H18FN5O
Molecular Weight411.44 g/mol
Exact Mass411.15
IUPAC Name1-[(2-fluorophenyl)methyl]-3-[5-(3-methoxyphenyl)pyrimidin-2-yl]pyrazolo[5,4-b]pyridine
SMILESCOc1cccc(-c2cnc(-c3nn(Cc4ccccc4F)c4ncccc34)nc2)c1
InChIInChI=1S/C24H18FN5O/c1-31-19-8-4-7-16(12-19)18-13-27-23(28-14-18)22-20-9-5-11-26-24(20)30(29-22)15-17-6-2-3-10-21(17)25/h2-14H,15H2,1H3
InChIKeyFOIZCYUQOOXZOF-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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Related Compounds

Dorsomorphin
CID 11524144
Mak-683
CID 121412508
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CID 24795070
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CID 50997747
4-[2-[4-(3-Pyridin-4-ylpyrazolo[1,5-a]pyrimidin-6-yl)phenoxy]ethyl]morpholine
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1H-Pyrazolo[3,4-d]pyriMidin-4-aMine, 1-[trans-4-(4-Methyl-1-piperazinyl)cyclohexyl]-3-(4-phenoxyphenyl)-
CID 6539953
Methyl substituted pyrazole, 27
CID 23648674
3-(4-Methoxy-3-Methylphenyl)-1-(Piperidin-4-Ylmethyl)-1h-Pyrazolo[3,4-D]pyrimidin-4-Amine
CID 56835771
N2-(2-Methoxy-4-(1-Methyl-1h-Pyrazol-4-Yl)phenyl)-N8-Neopentylpyrido[3,4-D]pyrimidine-2,8-Diamine
CID 73387064
ML303
CID 136141525

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methyl]-3-[5-(3-methoxyphenyl)pyrimidin-2-yl]pyrazolo[5,4-b]pyridine?
The IUPAC name of 1-[(2-fluorophenyl)methyl]-3-[5-(3-methoxyphenyl)pyrimidin-2-yl]pyrazolo[5,4-b]pyridine (CID 23548200) is 1-[(2-fluorophenyl)methyl]-3-[5-(3-methoxyphenyl)pyrimidin-2-yl]pyrazolo[5,4-b]pyridine.
What is the SMILES notation for 1-[(2-fluorophenyl)methyl]-3-[5-(3-methoxyphenyl)pyrimidin-2-yl]pyrazolo[5,4-b]pyridine?
The canonical SMILES for 1-[(2-fluorophenyl)methyl]-3-[5-(3-methoxyphenyl)pyrimidin-2-yl]pyrazolo[5,4-b]pyridine is COc1cccc(-c2cnc(-c3nn(Cc4ccccc4F)c4ncccc34)nc2)c1.
What is the InChIKey of 1-[(2-fluorophenyl)methyl]-3-[5-(3-methoxyphenyl)pyrimidin-2-yl]pyrazolo[5,4-b]pyridine?
The InChIKey is FOIZCYUQOOXZOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18FN5O/c1-31-19-8-4-7-16(12-19)18-13-27-23(28-14-18)22-20-9-5-11-26-24(20)30(29-22)15-17-6-2-3-10-21(17)25/h2-14H,15H2,1H3.
What are the key properties of 1-[(2-fluorophenyl)methyl]-3-[5-(3-methoxyphenyl)pyrimidin-2-yl]pyrazolo[5,4-b]pyridine?
1-[(2-fluorophenyl)methyl]-3-[5-(3-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-(3-methoxyphenyl)pyrimidin-2-yl]pyrazolo[5,4-b]pyridine is sourced from PubChem (CID 23548200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).