6-[3-(3-chloro-2-oxopropyl)-4-hydroxyphenyl]-5-methyl-2,3-diphenyl-4H-pyrazolo[1,5-a]pyridin-7-one

C29H23ClN2O3 — CID 158304173

IUPAC6-[3-(3-chloro-2-oxopropyl)-4-hydroxyphenyl]-5-methyl-2,3-diphenyl-4H-pyrazolo[1,5-a]pyridin-7-one
SMILESCC1=C(c2ccc(O)c(CC(=O)CCl)c2)C(=O)n2nc(-c3ccccc3)c(-c3ccccc3)c2C1
InChIInChI=1S/C29H23ClN2O3/c1-18-14-24-27(19-8-4-2-5-9-19)28(20-10-6-3-7-11-20)31-32(24)29(35)26(18)21-12-13-25(34)22(15-21)16-23(33)17-30/h2-13,15,34H,14,16-17H2,1H3
InChIKeyGMWJLISFDVLJMP-UHFFFAOYSA-N
MW482.97 g/mol
LogP5.94
Rot. Bonds6

About 6-[3-(3-chloro-2-oxopropyl)-4-hydroxyphenyl]-5-methyl-2,3-diphenyl-4H-pyrazolo[1,5-a]pyridin-7-one

6-[3-(3-chloro-2-oxopropyl)-4-hydroxyphenyl]-5-methyl-2,3-diphenyl-4H-pyrazolo[1,5-a]pyridin-7-one (PubChem CID 158304173) has the molecular formula C29H23ClN2O3 and a molecular weight of 482.97 g/mol. Its IUPAC name is 6-[3-(3-chloro-2-oxopropyl)-4-hydroxyphenyl]-5-methyl-2,3-diphenyl-4H-pyrazolo[1,5-a]pyridin-7-one.

Molecular Properties

Compound Name6-[3-(3-chloro-2-oxopropyl)-4-hydroxyphenyl]-5-methyl-2,3-diphenyl-4H-pyrazolo[1,5-a]pyridin-7-one
PubChem CID158304173
Molecular FormulaC29H23ClN2O3
Molecular Weight482.97 g/mol
Exact Mass482.14
IUPAC Name6-[3-(3-chloro-2-oxopropyl)-4-hydroxyphenyl]-5-methyl-2,3-diphenyl-4H-pyrazolo[1,5-a]pyridin-7-one
SMILESCC1=C(c2ccc(O)c(CC(=O)CCl)c2)C(=O)n2nc(-c3ccccc3)c(-c3ccccc3)c2C1
InChIInChI=1S/C29H23ClN2O3/c1-18-14-24-27(19-8-4-2-5-9-19)28(20-10-6-3-7-11-20)31-32(24)29(35)26(18)21-12-13-25(34)22(15-21)16-23(33)17-30/h2-13,15,34H,14,16-17H2,1H3
InChIKeyGMWJLISFDVLJMP-UHFFFAOYSA-N
XLogP5.94
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.97
LogP ≤ 55.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[3-(3-chloro-2-oxopropyl)-4-hydroxyphenyl]-5-methyl-2,3-diphenyl-4H-pyrazolo[1,5-a]pyridin-7-one?
The IUPAC name of 6-[3-(3-chloro-2-oxopropyl)-4-hydroxyphenyl]-5-methyl-2,3-diphenyl-4H-pyrazolo[1,5-a]pyridin-7-one (CID 158304173) is 6-[3-(3-chloro-2-oxopropyl)-4-hydroxyphenyl]-5-methyl-2,3-diphenyl-4H-pyrazolo[1,5-a]pyridin-7-one.
What is the SMILES notation for 6-[3-(3-chloro-2-oxopropyl)-4-hydroxyphenyl]-5-methyl-2,3-diphenyl-4H-pyrazolo[1,5-a]pyridin-7-one?
The canonical SMILES for 6-[3-(3-chloro-2-oxopropyl)-4-hydroxyphenyl]-5-methyl-2,3-diphenyl-4H-pyrazolo[1,5-a]pyridin-7-one is CC1=C(c2ccc(O)c(CC(=O)CCl)c2)C(=O)n2nc(-c3ccccc3)c(-c3ccccc3)c2C1.
What is the InChIKey of 6-[3-(3-chloro-2-oxopropyl)-4-hydroxyphenyl]-5-methyl-2,3-diphenyl-4H-pyrazolo[1,5-a]pyridin-7-one?
The InChIKey is GMWJLISFDVLJMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23ClN2O3/c1-18-14-24-27(19-8-4-2-5-9-19)28(20-10-6-3-7-11-20)31-32(24)29(35)26(18)21-12-13-25(34)22(15-21)16-23(33)17-30/h2-13,15,34H,14,16-17H2,1H3.
What are the key properties of 6-[3-(3-chloro-2-oxopropyl)-4-hydroxyphenyl]-5-methyl-2,3-diphenyl-4H-pyrazolo[1,5-a]pyridin-7-one?
6-[3-(3-chloro-2-oxopropyl)-4-hydroxyphenyl]-5-methyl-2,3-diphenyl-4H-pyrazolo[1,5-a]pyridin-7-one has a molecular weight of 482.97 g/mol, XLogP of 5.94, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(3-chloro-2-oxopropyl)-4-hydroxyphenyl]-5-methyl-2,3-diphenyl-4H-pyrazolo[1,5-a]pyridin-7-one is sourced from PubChem (CID 158304173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).