4-(4-cyclopentyloxy-3-methoxyphenyl)-1-[(2,4-dimethoxyphenyl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one

C27H31N3O5 — CID 137249981

IUPAC4-(4-cyclopentyloxy-3-methoxyphenyl)-1-[(2,4-dimethoxyphenyl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESCOc1ccc(Cn2ncc3c2NC(=O)CC3c2ccc(OC3CCCC3)c(OC)c2)c(OC)c1
InChIInChI=1S/C27H31N3O5/c1-32-20-10-8-18(24(13-20)33-2)16-30-27-22(15-28-30)21(14-26(31)29-27)17-9-11-23(25(12-17)34-3)35-19-6-4-5-7-19/h8-13,15,19,21H,4-7,14,16H2,1-3H3,(H,29,31)
InChIKeyCDJVHHUWBBGSIR-UHFFFAOYSA-N
MW477.56 g/mol
LogP4.75
Rot. Bonds8

About 4-(4-cyclopentyloxy-3-methoxyphenyl)-1-[(2,4-dimethoxyphenyl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one

4-(4-cyclopentyloxy-3-methoxyphenyl)-1-[(2,4-dimethoxyphenyl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (PubChem CID 137249981) has the molecular formula C27H31N3O5 and a molecular weight of 477.56 g/mol. Its IUPAC name is 4-(4-cyclopentyloxy-3-methoxyphenyl)-1-[(2,4-dimethoxyphenyl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

Compound Name4-(4-cyclopentyloxy-3-methoxyphenyl)-1-[(2,4-dimethoxyphenyl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
PubChem CID137249981
Molecular FormulaC27H31N3O5
Molecular Weight477.56 g/mol
Exact Mass477.23
IUPAC Name4-(4-cyclopentyloxy-3-methoxyphenyl)-1-[(2,4-dimethoxyphenyl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESCOc1ccc(Cn2ncc3c2NC(=O)CC3c2ccc(OC3CCCC3)c(OC)c2)c(OC)c1
InChIInChI=1S/C27H31N3O5/c1-32-20-10-8-18(24(13-20)33-2)16-30-27-22(15-28-30)21(14-26(31)29-27)17-9-11-23(25(12-17)34-3)35-19-6-4-5-7-19/h8-13,15,19,21H,4-7,14,16H2,1-3H3,(H,29,31)
InChIKeyCDJVHHUWBBGSIR-UHFFFAOYSA-N
XLogP4.75
TPSA83.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.56
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(4R)-4-[4-(difluoromethoxy)-3-methoxyphenyl]-1-(thiophen-2-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136899580
(4S)-1-(1,3-benzodioxol-5-ylmethyl)-4-(2,4-dimethoxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135893988
(4R)-1-(1,3-benzothiazol-2-yl)-4-(3-cyclopentyloxy-4-methoxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136909566
4-(3-methoxyphenyl)-1-(thiophen-2-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135634528
1-(7-chloro-1,3-benzothiazol-2-yl)-4-(3-cyclopentyloxy-4-methoxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 137249956
(4S)-1-(furan-2-ylmethyl)-4-[3-methoxy-4-(2-methylprop-2-enoxy)phenyl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136899727
2-[5-(1-cyclopentyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl)-2-methoxyphenoxy]acetamide
CID 135634261
(4S)-4-(3-cyclopentyloxy-4-methoxyphenyl)-3-methyl-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136792943
4-(3-hydroxy-4-methoxyphenyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135632417
(4R)-4-[4-methoxy-3-(2-methylpropoxy)phenyl]-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136899638
1-cyclopentyl-4-(3,4,5-trimethoxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135632536
2-[2-methoxy-5-(1-methyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl)phenoxy]acetamide
CID 135632346

Frequently Asked Questions

What is the IUPAC name of 4-(4-cyclopentyloxy-3-methoxyphenyl)-1-[(2,4-dimethoxyphenyl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The IUPAC name of 4-(4-cyclopentyloxy-3-methoxyphenyl)-1-[(2,4-dimethoxyphenyl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (CID 137249981) is 4-(4-cyclopentyloxy-3-methoxyphenyl)-1-[(2,4-dimethoxyphenyl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.
What is the SMILES notation for 4-(4-cyclopentyloxy-3-methoxyphenyl)-1-[(2,4-dimethoxyphenyl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The canonical SMILES for 4-(4-cyclopentyloxy-3-methoxyphenyl)-1-[(2,4-dimethoxyphenyl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is COc1ccc(Cn2ncc3c2NC(=O)CC3c2ccc(OC3CCCC3)c(OC)c2)c(OC)c1.
What is the InChIKey of 4-(4-cyclopentyloxy-3-methoxyphenyl)-1-[(2,4-dimethoxyphenyl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The InChIKey is CDJVHHUWBBGSIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N3O5/c1-32-20-10-8-18(24(13-20)33-2)16-30-27-22(15-28-30)21(14-26(31)29-27)17-9-11-23(25(12-17)34-3)35-19-6-4-5-7-19/h8-13,15,19,21H,4-7,14,16H2,1-3H3,(H,29,31).
What are the key properties of 4-(4-cyclopentyloxy-3-methoxyphenyl)-1-[(2,4-dimethoxyphenyl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
4-(4-cyclopentyloxy-3-methoxyphenyl)-1-[(2,4-dimethoxyphenyl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one has a molecular weight of 477.56 g/mol, XLogP of 4.75, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyclopentyloxy-3-methoxyphenyl)-1-[(2,4-dimethoxyphenyl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 137249981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).