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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Related Compounds

1-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-[3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea
CID 71555167
6-(2-fluoro-6-methoxyphenyl)-1-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-c]pyridine
CID 155817682
6-(2-fluoro-6-methoxyphenyl)-1-[6-(4-methylpiperazin-1-yl)pyridin-2-yl]-1H-pyrazolo[4,3-c]pyridine
CID 155817683
N-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]-7-(6-methoxy-3-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine
CID 57390673
N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-5-methoxypyrazolo[1,5-a]pyridin-7-amine
CID 10277876
N-Butyl-4-[2-(4-fluorophenyl)-7-methoxypyrazolo[1,5-a]pyridin-3-yl]-2-pyridinamine
CID 10293771
8-Chloro-3-(cyclopropylmethyl)-7-[4-(5-fluoro-2-methoxyphenyl)-1-piperidinyl]-1,2,4-triazolo[4,3-a]pyridine
CID 57459488
8-Chloro-3-(cyclopropylmethyl)-7-[4-(2-fluoro-6-methoxyphenyl)piperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyridine
CID 57459494
CID 57459497
CID 57459497
8-Chloro-3-(cyclopropylmethyl)-7-[4-(3-fluoro-2-methoxyphenyl)piperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyridine
CID 69093439
8-Chloro-3-(cyclopropylmethyl)-7-[4-(2,4-difluoro-6-methoxyphenyl)piperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyridine
CID 69093928
4-(2-Methoxy-3-pyridinyl)-1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine
CID 74767048

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).