7-[4-(2-chlorophenyl)piperazine-1-carbonyl]-5-methyl-2-phenylpyrazolo[4,3-c]pyridin-3-one

C24H22ClN5O2 — CID 18570264

IUPAC7-[4-(2-chlorophenyl)piperazine-1-carbonyl]-5-methyl-2-phenylpyrazolo[4,3-c]pyridin-3-one
SMILESCn1cc(C(=O)N2CCN(c3ccccc3Cl)CC2)c2nn(-c3ccccc3)c(=O)c-2c1
InChIInChI=1S/C24H22ClN5O2/c1-27-15-18(22-19(16-27)24(32)30(26-22)17-7-3-2-4-8-17)23(31)29-13-11-28(12-14-29)21-10-6-5-9-20(21)25/h2-10,15-16H,11-14H2,1H3
InChIKeyBKUCLPKBOYHEQB-UHFFFAOYSA-N
MW447.93 g/mol
LogP3.29
Rot. Bonds3

About 7-[4-(2-chlorophenyl)piperazine-1-carbonyl]-5-methyl-2-phenylpyrazolo[4,3-c]pyridin-3-one

7-[4-(2-chlorophenyl)piperazine-1-carbonyl]-5-methyl-2-phenylpyrazolo[4,3-c]pyridin-3-one (PubChem CID 18570264) has the molecular formula C24H22ClN5O2 and a molecular weight of 447.93 g/mol. Its IUPAC name is 7-[4-(2-chlorophenyl)piperazine-1-carbonyl]-5-methyl-2-phenylpyrazolo[4,3-c]pyridin-3-one.

Molecular Properties

Compound Name7-[4-(2-chlorophenyl)piperazine-1-carbonyl]-5-methyl-2-phenylpyrazolo[4,3-c]pyridin-3-one
PubChem CID18570264
Molecular FormulaC24H22ClN5O2
Molecular Weight447.93 g/mol
Exact Mass447.15
IUPAC Name7-[4-(2-chlorophenyl)piperazine-1-carbonyl]-5-methyl-2-phenylpyrazolo[4,3-c]pyridin-3-one
SMILESCn1cc(C(=O)N2CCN(c3ccccc3Cl)CC2)c2nn(-c3ccccc3)c(=O)c-2c1
InChIInChI=1S/C24H22ClN5O2/c1-27-15-18(22-19(16-27)24(32)30(26-22)17-7-3-2-4-8-17)23(31)29-13-11-28(12-14-29)21-10-6-5-9-20(21)25/h2-10,15-16H,11-14H2,1H3
InChIKeyBKUCLPKBOYHEQB-UHFFFAOYSA-N
XLogP3.29
TPSA63.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.93
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[4-(2-chlorophenyl)piperazine-1-carbonyl]-5-methyl-2-phenylpyrazolo[4,3-c]pyridin-3-one?
The IUPAC name of 7-[4-(2-chlorophenyl)piperazine-1-carbonyl]-5-methyl-2-phenylpyrazolo[4,3-c]pyridin-3-one (CID 18570264) is 7-[4-(2-chlorophenyl)piperazine-1-carbonyl]-5-methyl-2-phenylpyrazolo[4,3-c]pyridin-3-one.
What is the SMILES notation for 7-[4-(2-chlorophenyl)piperazine-1-carbonyl]-5-methyl-2-phenylpyrazolo[4,3-c]pyridin-3-one?
The canonical SMILES for 7-[4-(2-chlorophenyl)piperazine-1-carbonyl]-5-methyl-2-phenylpyrazolo[4,3-c]pyridin-3-one is Cn1cc(C(=O)N2CCN(c3ccccc3Cl)CC2)c2nn(-c3ccccc3)c(=O)c-2c1.
What is the InChIKey of 7-[4-(2-chlorophenyl)piperazine-1-carbonyl]-5-methyl-2-phenylpyrazolo[4,3-c]pyridin-3-one?
The InChIKey is BKUCLPKBOYHEQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN5O2/c1-27-15-18(22-19(16-27)24(32)30(26-22)17-7-3-2-4-8-17)23(31)29-13-11-28(12-14-29)21-10-6-5-9-20(21)25/h2-10,15-16H,11-14H2,1H3.
What are the key properties of 7-[4-(2-chlorophenyl)piperazine-1-carbonyl]-5-methyl-2-phenylpyrazolo[4,3-c]pyridin-3-one?
7-[4-(2-chlorophenyl)piperazine-1-carbonyl]-5-methyl-2-phenylpyrazolo[4,3-c]pyridin-3-one has a molecular weight of 447.93 g/mol, XLogP of 3.29, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(2-chlorophenyl)piperazine-1-carbonyl]-5-methyl-2-phenylpyrazolo[4,3-c]pyridin-3-one is sourced from PubChem (CID 18570264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).