6-(2-fluoro-6-methoxyphenyl)-1-[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]pyrazolo[4,3-c]pyridine

C22H22FN7O — CID 162668670

IUPAC6-(2-fluoro-6-methoxyphenyl)-1-[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]pyrazolo[4,3-c]pyridine
SMILESCOc1cccc(F)c1-c1cc2c(cn1)cnn2-c1ccnc(N2CCN(C)CC2)n1
InChIInChI=1S/C22H22FN7O/c1-28-8-10-29(11-9-28)22-24-7-6-20(27-22)30-18-12-17(25-13-15(18)14-26-30)21-16(23)4-3-5-19(21)31-2/h3-7,12-14H,8-11H2,1-2H3
InChIKeySKCMADAWBUPYHW-UHFFFAOYSA-N
MW419.46 g/mol
LogP2.78
Rot. Bonds4

About 6-(2-fluoro-6-methoxyphenyl)-1-[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]pyrazolo[4,3-c]pyridine

6-(2-fluoro-6-methoxyphenyl)-1-[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]pyrazolo[4,3-c]pyridine (PubChem CID 162668670) has the molecular formula C22H22FN7O and a molecular weight of 419.46 g/mol. Its IUPAC name is 6-(2-fluoro-6-methoxyphenyl)-1-[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]pyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name6-(2-fluoro-6-methoxyphenyl)-1-[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]pyrazolo[4,3-c]pyridine
PubChem CID162668670
Molecular FormulaC22H22FN7O
Molecular Weight419.46 g/mol
Exact Mass419.19
IUPAC Name6-(2-fluoro-6-methoxyphenyl)-1-[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]pyrazolo[4,3-c]pyridine
SMILESCOc1cccc(F)c1-c1cc2c(cn1)cnn2-c1ccnc(N2CCN(C)CC2)n1
InChIInChI=1S/C22H22FN7O/c1-28-8-10-29(11-9-28)22-24-7-6-20(27-22)30-18-12-17(25-13-15(18)14-26-30)21-16(23)4-3-5-19(21)31-2/h3-7,12-14H,8-11H2,1-2H3
InChIKeySKCMADAWBUPYHW-UHFFFAOYSA-N
XLogP2.78
TPSA72.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.46
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-(2-fluoro-6-methoxyphenyl)-1-[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]pyrazolo[4,3-c]pyridine?
The IUPAC name of 6-(2-fluoro-6-methoxyphenyl)-1-[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]pyrazolo[4,3-c]pyridine (CID 162668670) is 6-(2-fluoro-6-methoxyphenyl)-1-[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]pyrazolo[4,3-c]pyridine.
What is the SMILES notation for 6-(2-fluoro-6-methoxyphenyl)-1-[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]pyrazolo[4,3-c]pyridine?
The canonical SMILES for 6-(2-fluoro-6-methoxyphenyl)-1-[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]pyrazolo[4,3-c]pyridine is COc1cccc(F)c1-c1cc2c(cn1)cnn2-c1ccnc(N2CCN(C)CC2)n1.
What is the InChIKey of 6-(2-fluoro-6-methoxyphenyl)-1-[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]pyrazolo[4,3-c]pyridine?
The InChIKey is SKCMADAWBUPYHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN7O/c1-28-8-10-29(11-9-28)22-24-7-6-20(27-22)30-18-12-17(25-13-15(18)14-26-30)21-16(23)4-3-5-19(21)31-2/h3-7,12-14H,8-11H2,1-2H3.
What are the key properties of 6-(2-fluoro-6-methoxyphenyl)-1-[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]pyrazolo[4,3-c]pyridine?
6-(2-fluoro-6-methoxyphenyl)-1-[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]pyrazolo[4,3-c]pyridine has a molecular weight of 419.46 g/mol, XLogP of 2.78, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-fluoro-6-methoxyphenyl)-1-[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]pyrazolo[4,3-c]pyridine is sourced from PubChem (CID 162668670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).