4-(3-cyclopentyloxy-4-methoxyphenyl)-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one

C24H23N3O3 — CID 137249962

IUPAC4-(3-cyclopentyloxy-4-methoxyphenyl)-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one
SMILESCOc1ccc(-c2cc(=O)[nH]c3c2cnn3-c2ccccc2)cc1OC1CCCC1
InChIInChI=1S/C24H23N3O3/c1-29-21-12-11-16(13-22(21)30-18-9-5-6-10-18)19-14-23(28)26-24-20(19)15-25-27(24)17-7-3-2-4-8-17/h2-4,7-8,11-15,18H,5-6,9-10H2,1H3,(H,26,28)
InChIKeyNLKOZNFCGZYMES-UHFFFAOYSA-N
MW401.47 g/mol
LogP4.71
Rot. Bonds5

About 4-(3-cyclopentyloxy-4-methoxyphenyl)-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one

4-(3-cyclopentyloxy-4-methoxyphenyl)-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one (PubChem CID 137249962) has the molecular formula C24H23N3O3 and a molecular weight of 401.47 g/mol. Its IUPAC name is 4-(3-cyclopentyloxy-4-methoxyphenyl)-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

Compound Name4-(3-cyclopentyloxy-4-methoxyphenyl)-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one
PubChem CID137249962
Molecular FormulaC24H23N3O3
Molecular Weight401.47 g/mol
Exact Mass401.17
IUPAC Name4-(3-cyclopentyloxy-4-methoxyphenyl)-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one
SMILESCOc1ccc(-c2cc(=O)[nH]c3c2cnn3-c2ccccc2)cc1OC1CCCC1
InChIInChI=1S/C24H23N3O3/c1-29-21-12-11-16(13-22(21)30-18-9-5-6-10-18)19-14-23(28)26-24-20(19)15-25-27(24)17-7-3-2-4-8-17/h2-4,7-8,11-15,18H,5-6,9-10H2,1H3,(H,26,28)
InChIKeyNLKOZNFCGZYMES-UHFFFAOYSA-N
XLogP4.71
TPSA69.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3-cyclopentyloxy-4-methoxyphenyl)-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one?
The IUPAC name of 4-(3-cyclopentyloxy-4-methoxyphenyl)-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one (CID 137249962) is 4-(3-cyclopentyloxy-4-methoxyphenyl)-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one.
What is the SMILES notation for 4-(3-cyclopentyloxy-4-methoxyphenyl)-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one?
The canonical SMILES for 4-(3-cyclopentyloxy-4-methoxyphenyl)-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one is COc1ccc(-c2cc(=O)[nH]c3c2cnn3-c2ccccc2)cc1OC1CCCC1.
What is the InChIKey of 4-(3-cyclopentyloxy-4-methoxyphenyl)-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one?
The InChIKey is NLKOZNFCGZYMES-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O3/c1-29-21-12-11-16(13-22(21)30-18-9-5-6-10-18)19-14-23(28)26-24-20(19)15-25-27(24)17-7-3-2-4-8-17/h2-4,7-8,11-15,18H,5-6,9-10H2,1H3,(H,26,28).
What are the key properties of 4-(3-cyclopentyloxy-4-methoxyphenyl)-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one?
4-(3-cyclopentyloxy-4-methoxyphenyl)-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one has a molecular weight of 401.47 g/mol, XLogP of 4.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyclopentyloxy-4-methoxyphenyl)-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 137249962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).