2-benzyl-6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-[(4-methoxyphenyl)methyl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-3-one

C27H30N4O3 — CID 134810566

IUPAC2-benzyl-6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-[(4-methoxyphenyl)methyl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-3-one
SMILESCOc1ccc(Cn2c3c(c(=O)n2Cc2ccccc2)CCN(Cc2c(C)noc2C)C3)cc1
InChIInChI=1S/C27H30N4O3/c1-19-25(20(2)34-28-19)17-29-14-13-24-26(18-29)30(15-22-9-11-23(33-3)12-10-22)31(27(24)32)16-21-7-5-4-6-8-21/h4-12H,13-18H2,1-3H3
InChIKeyMQAISRHZQXEQHA-UHFFFAOYSA-N
MW458.56 g/mol
LogP3.92
Rot. Bonds7

About 2-benzyl-6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-[(4-methoxyphenyl)methyl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-3-one

2-benzyl-6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-[(4-methoxyphenyl)methyl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-3-one (PubChem CID 134810566) has the molecular formula C27H30N4O3 and a molecular weight of 458.56 g/mol. Its IUPAC name is 2-benzyl-6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-[(4-methoxyphenyl)methyl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-3-one.

Molecular Properties

Compound Name2-benzyl-6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-[(4-methoxyphenyl)methyl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-3-one
PubChem CID134810566
Molecular FormulaC27H30N4O3
Molecular Weight458.56 g/mol
Exact Mass458.23
IUPAC Name2-benzyl-6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-[(4-methoxyphenyl)methyl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-3-one
SMILESCOc1ccc(Cn2c3c(c(=O)n2Cc2ccccc2)CCN(Cc2c(C)noc2C)C3)cc1
InChIInChI=1S/C27H30N4O3/c1-19-25(20(2)34-28-19)17-29-14-13-24-26(18-29)30(15-22-9-11-23(33-3)12-10-22)31(27(24)32)16-21-7-5-4-6-8-21/h4-12H,13-18H2,1-3H3
InChIKeyMQAISRHZQXEQHA-UHFFFAOYSA-N
XLogP3.92
TPSA65.43 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.56
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-benzyl-6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-[(4-methoxyphenyl)methyl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-3-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-[(4-methoxyphenyl)methyl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-3-one?
The IUPAC name of 2-benzyl-6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-[(4-methoxyphenyl)methyl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-3-one (CID 134810566) is 2-benzyl-6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-[(4-methoxyphenyl)methyl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-3-one.
What is the SMILES notation for 2-benzyl-6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-[(4-methoxyphenyl)methyl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-3-one?
The canonical SMILES for 2-benzyl-6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-[(4-methoxyphenyl)methyl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-3-one is COc1ccc(Cn2c3c(c(=O)n2Cc2ccccc2)CCN(Cc2c(C)noc2C)C3)cc1.
What is the InChIKey of 2-benzyl-6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-[(4-methoxyphenyl)methyl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-3-one?
The InChIKey is MQAISRHZQXEQHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O3/c1-19-25(20(2)34-28-19)17-29-14-13-24-26(18-29)30(15-22-9-11-23(33-3)12-10-22)31(27(24)32)16-21-7-5-4-6-8-21/h4-12H,13-18H2,1-3H3.
What are the key properties of 2-benzyl-6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-[(4-methoxyphenyl)methyl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-3-one?
2-benzyl-6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-[(4-methoxyphenyl)methyl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-3-one has a molecular weight of 458.56 g/mol, XLogP of 3.92, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-[(4-methoxyphenyl)methyl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-3-one is sourced from PubChem (CID 134810566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).