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

C23H22ClFN6O — CID 162661542

IUPAC1-[4-chloro-6-(4-methylpiperazin-1-yl)-2-pyridinyl]-6-(2-fluoro-6-methoxyphenyl)pyrazolo[4,3-c]pyridine
SMILESCOc1cccc(F)c1-c1cc2c(cn1)cnn2-c1cc(Cl)cc(N2CCN(C)CC2)n1
InChIInChI=1S/C23H22ClFN6O/c1-29-6-8-30(9-7-29)21-10-16(24)11-22(28-21)31-19-12-18(26-13-15(19)14-27-31)23-17(25)4-3-5-20(23)32-2/h3-5,10-14H,6-9H2,1-2H3
InChIKeyCTHXZEYHDZTXLO-UHFFFAOYSA-N
MW452.92 g/mol
LogP4.04
Rot. Bonds4

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

1-[4-chloro-6-(4-methylpiperazin-1-yl)-2-pyridinyl]-6-(2-fluoro-6-methoxyphenyl)pyrazolo[4,3-c]pyridine (PubChem CID 162661542) has the molecular formula C23H22ClFN6O and a molecular weight of 452.92 g/mol. Its IUPAC name is 1-[4-chloro-6-(4-methylpiperazin-1-yl)-2-pyridinyl]-6-(2-fluoro-6-methoxyphenyl)pyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name1-[4-chloro-6-(4-methylpiperazin-1-yl)-2-pyridinyl]-6-(2-fluoro-6-methoxyphenyl)pyrazolo[4,3-c]pyridine
PubChem CID162661542
Molecular FormulaC23H22ClFN6O
Molecular Weight452.92 g/mol
Exact Mass452.15
IUPAC Name1-[4-chloro-6-(4-methylpiperazin-1-yl)-2-pyridinyl]-6-(2-fluoro-6-methoxyphenyl)pyrazolo[4,3-c]pyridine
SMILESCOc1cccc(F)c1-c1cc2c(cn1)cnn2-c1cc(Cl)cc(N2CCN(C)CC2)n1
InChIInChI=1S/C23H22ClFN6O/c1-29-6-8-30(9-7-29)21-10-16(24)11-22(28-21)31-19-12-18(26-13-15(19)14-27-31)23-17(25)4-3-5-20(23)32-2/h3-5,10-14H,6-9H2,1-2H3
InChIKeyCTHXZEYHDZTXLO-UHFFFAOYSA-N
XLogP4.04
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.92
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-6-(4-methylpiperazin-1-yl)-2-pyridinyl]-6-(2-fluoro-6-methoxyphenyl)pyrazolo[4,3-c]pyridine?
The IUPAC name of 1-[4-chloro-6-(4-methylpiperazin-1-yl)-2-pyridinyl]-6-(2-fluoro-6-methoxyphenyl)pyrazolo[4,3-c]pyridine (CID 162661542) is 1-[4-chloro-6-(4-methylpiperazin-1-yl)-2-pyridinyl]-6-(2-fluoro-6-methoxyphenyl)pyrazolo[4,3-c]pyridine.
What is the SMILES notation for 1-[4-chloro-6-(4-methylpiperazin-1-yl)-2-pyridinyl]-6-(2-fluoro-6-methoxyphenyl)pyrazolo[4,3-c]pyridine?
The canonical SMILES for 1-[4-chloro-6-(4-methylpiperazin-1-yl)-2-pyridinyl]-6-(2-fluoro-6-methoxyphenyl)pyrazolo[4,3-c]pyridine is COc1cccc(F)c1-c1cc2c(cn1)cnn2-c1cc(Cl)cc(N2CCN(C)CC2)n1.
What is the InChIKey of 1-[4-chloro-6-(4-methylpiperazin-1-yl)-2-pyridinyl]-6-(2-fluoro-6-methoxyphenyl)pyrazolo[4,3-c]pyridine?
The InChIKey is CTHXZEYHDZTXLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClFN6O/c1-29-6-8-30(9-7-29)21-10-16(24)11-22(28-21)31-19-12-18(26-13-15(19)14-27-31)23-17(25)4-3-5-20(23)32-2/h3-5,10-14H,6-9H2,1-2H3.
What are the key properties of 1-[4-chloro-6-(4-methylpiperazin-1-yl)-2-pyridinyl]-6-(2-fluoro-6-methoxyphenyl)pyrazolo[4,3-c]pyridine?
1-[4-chloro-6-(4-methylpiperazin-1-yl)-2-pyridinyl]-6-(2-fluoro-6-methoxyphenyl)pyrazolo[4,3-c]pyridine has a molecular weight of 452.92 g/mol, XLogP of 4.04, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-6-(4-methylpiperazin-1-yl)-2-pyridinyl]-6-(2-fluoro-6-methoxyphenyl)pyrazolo[4,3-c]pyridine is sourced from PubChem (CID 162661542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).