4-cyclopropyl-5-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-3-methyl-1-phenyl-4H-pyrrolo[3,4-d]pyrazol-6-one

C28H32N4O2 — CID 134801833

IUPAC4-cyclopropyl-5-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-3-methyl-1-phenyl-4H-pyrrolo[3,4-d]pyrazol-6-one
SMILESCOc1ccc(CN2CCC(N3C(=O)c4c(c(C)nn4-c4ccccc4)C3C3CC3)CC2)cc1
InChIInChI=1S/C28H32N4O2/c1-19-25-26(21-10-11-21)31(28(33)27(25)32(29-19)23-6-4-3-5-7-23)22-14-16-30(17-15-22)18-20-8-12-24(34-2)13-9-20/h3-9,12-13,21-22,26H,10-11,14-18H2,1-2H3
InChIKeyGPKVLSBGTBOXFI-UHFFFAOYSA-N
MW456.59 g/mol
LogP4.76
Rot. Bonds6

About 4-cyclopropyl-5-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-3-methyl-1-phenyl-4H-pyrrolo[3,4-d]pyrazol-6-one

4-cyclopropyl-5-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-3-methyl-1-phenyl-4H-pyrrolo[3,4-d]pyrazol-6-one (PubChem CID 134801833) has the molecular formula C28H32N4O2 and a molecular weight of 456.59 g/mol. Its IUPAC name is 4-cyclopropyl-5-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-3-methyl-1-phenyl-4H-pyrrolo[3,4-d]pyrazol-6-one.

Molecular Properties

Compound Name4-cyclopropyl-5-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-3-methyl-1-phenyl-4H-pyrrolo[3,4-d]pyrazol-6-one
PubChem CID134801833
Molecular FormulaC28H32N4O2
Molecular Weight456.59 g/mol
Exact Mass456.25
IUPAC Name4-cyclopropyl-5-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-3-methyl-1-phenyl-4H-pyrrolo[3,4-d]pyrazol-6-one
SMILESCOc1ccc(CN2CCC(N3C(=O)c4c(c(C)nn4-c4ccccc4)C3C3CC3)CC2)cc1
InChIInChI=1S/C28H32N4O2/c1-19-25-26(21-10-11-21)31(28(33)27(25)32(29-19)23-6-4-3-5-7-23)22-14-16-30(17-15-22)18-20-8-12-24(34-2)13-9-20/h3-9,12-13,21-22,26H,10-11,14-18H2,1-2H3
InChIKeyGPKVLSBGTBOXFI-UHFFFAOYSA-N
XLogP4.76
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.59
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-methoxyphenyl)-6-(4-(1-(pyrrolidin-1-ylmethyl)cyclopropyl)phenyl)-3-(trifluoromethyl)-5,6-dihydro-1H-pyrazolo[3,4-c]pyridin-7(4H)-one
CID 24836819
1-(4-methoxyphenyl)-7-oxo-6-{1-[2-(pyrrolidin-1-ylmethyl)phenyl]piperidin-4-yl}-1H,4H,5H,6H,7H-pyrazolo[3,4-c]pyridine-3-carboxamide
CID 23648152
1-(4-methoxyphenyl)-6-(4-(1-(2-(pyrrolidin-1-yl)ethyl)cyclopropyl)phenyl)-3-(trifluoromethyl)-5,6-dihydro-1H-pyrazolo[3,4-c]pyridin-7(4H)-one
CID 44581630
1-(4-Methoxyphenyl)-6-[4-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
CID 59020061
1-(4-methoxyphenyl)-N-{1-[2-(pyrrolidin-1-ylmethyl)phenyl]piperidin-4-yl}-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 23648158
N-cyclopropyl-5-(4-methoxybenzyl)-4-oxo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 3780243
N-(4-methoxybenzyl)-3-methyl-1-phenyl-1H-pyrazole-5-carboxamide
CID 5015296
1-Cyclohexyl-3-ethyl-6-(3-methoxyphenyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one
CID 10689417
1-(4-methoxyphenyl)-6-(4-(1-(pyrrolidine-1-carbonyl)cyclopropyl)phenyl)-3-(trifluoromethyl)-5,6-dihydro-1H-pyrazolo[3,4-c]pyridin-7(4H)-one
CID 11756558
4-[3,4-Dimethyl-2-(4-methylphenyl)-7-oxo-2H,6H,7H-pyrazolo[3,4-D]pyridazin-6-YL]-N-[(4-methoxyphenyl)methyl]butanamide
CID 20919914
1-(4-Methoxyphenyl)-6-{4-[1-(2-oxo-pyrrolidin-1-yl)-cyclopropyl]phenyl}-3-trifluoromethyl-1,4,5,6-tetrahydro-pyrazolo[3,4-c]pyridin-7-one
CID 44581591
3-cyclopropyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-1-phenylpyrazole-5-carboxamide
CID 9120568

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-5-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-3-methyl-1-phenyl-4H-pyrrolo[3,4-d]pyrazol-6-one?
The IUPAC name of 4-cyclopropyl-5-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-3-methyl-1-phenyl-4H-pyrrolo[3,4-d]pyrazol-6-one (CID 134801833) is 4-cyclopropyl-5-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-3-methyl-1-phenyl-4H-pyrrolo[3,4-d]pyrazol-6-one.
What is the SMILES notation for 4-cyclopropyl-5-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-3-methyl-1-phenyl-4H-pyrrolo[3,4-d]pyrazol-6-one?
The canonical SMILES for 4-cyclopropyl-5-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-3-methyl-1-phenyl-4H-pyrrolo[3,4-d]pyrazol-6-one is COc1ccc(CN2CCC(N3C(=O)c4c(c(C)nn4-c4ccccc4)C3C3CC3)CC2)cc1.
What is the InChIKey of 4-cyclopropyl-5-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-3-methyl-1-phenyl-4H-pyrrolo[3,4-d]pyrazol-6-one?
The InChIKey is GPKVLSBGTBOXFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N4O2/c1-19-25-26(21-10-11-21)31(28(33)27(25)32(29-19)23-6-4-3-5-7-23)22-14-16-30(17-15-22)18-20-8-12-24(34-2)13-9-20/h3-9,12-13,21-22,26H,10-11,14-18H2,1-2H3.
What are the key properties of 4-cyclopropyl-5-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-3-methyl-1-phenyl-4H-pyrrolo[3,4-d]pyrazol-6-one?
4-cyclopropyl-5-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-3-methyl-1-phenyl-4H-pyrrolo[3,4-d]pyrazol-6-one has a molecular weight of 456.59 g/mol, XLogP of 4.76, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-5-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-3-methyl-1-phenyl-4H-pyrrolo[3,4-d]pyrazol-6-one is sourced from PubChem (CID 134801833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).