[4-[2-(4-chlorophenyl)-6-oxo-4H-pyrrolo[3,4-c]pyrazol-5-yl]-2-methoxyphenyl] N-methyl-N-pyrrolidin-3-ylcarbamate

C24H24ClN5O4 — CID 67304420

IUPAC[4-[2-(4-chlorophenyl)-6-oxo-4H-pyrrolo[3,4-c]pyrazol-5-yl]-2-methoxyphenyl] N-methyl-N-pyrrolidin-3-ylcarbamate
SMILESCOc1cc(N2Cc3cn(-c4ccc(Cl)cc4)nc3C2=O)ccc1OC(=O)N(C)C1CCNC1
InChIInChI=1S/C24H24ClN5O4/c1-28(19-9-10-26-12-19)24(32)34-20-8-7-18(11-21(20)33-2)29-13-15-14-30(27-22(15)23(29)31)17-5-3-16(25)4-6-17/h3-8,11,14,19,26H,9-10,12-13H2,1-2H3
InChIKeyCAEZOGMOVIZLKT-UHFFFAOYSA-N
MW481.94 g/mol
LogP3.49
Rot. Bonds5

About [4-[2-(4-chlorophenyl)-6-oxo-4H-pyrrolo[3,4-c]pyrazol-5-yl]-2-methoxyphenyl] N-methyl-N-pyrrolidin-3-ylcarbamate

[4-[2-(4-chlorophenyl)-6-oxo-4H-pyrrolo[3,4-c]pyrazol-5-yl]-2-methoxyphenyl] N-methyl-N-pyrrolidin-3-ylcarbamate (PubChem CID 67304420) has the molecular formula C24H24ClN5O4 and a molecular weight of 481.94 g/mol. Its IUPAC name is [4-[2-(4-chlorophenyl)-6-oxo-4H-pyrrolo[3,4-c]pyrazol-5-yl]-2-methoxyphenyl] N-methyl-N-pyrrolidin-3-ylcarbamate.

Molecular Properties

Compound Name[4-[2-(4-chlorophenyl)-6-oxo-4H-pyrrolo[3,4-c]pyrazol-5-yl]-2-methoxyphenyl] N-methyl-N-pyrrolidin-3-ylcarbamate
PubChem CID67304420
Molecular FormulaC24H24ClN5O4
Molecular Weight481.94 g/mol
Exact Mass481.15
IUPAC Name[4-[2-(4-chlorophenyl)-6-oxo-4H-pyrrolo[3,4-c]pyrazol-5-yl]-2-methoxyphenyl] N-methyl-N-pyrrolidin-3-ylcarbamate
SMILESCOc1cc(N2Cc3cn(-c4ccc(Cl)cc4)nc3C2=O)ccc1OC(=O)N(C)C1CCNC1
InChIInChI=1S/C24H24ClN5O4/c1-28(19-9-10-26-12-19)24(32)34-20-8-7-18(11-21(20)33-2)29-13-15-14-30(27-22(15)23(29)31)17-5-3-16(25)4-6-17/h3-8,11,14,19,26H,9-10,12-13H2,1-2H3
InChIKeyCAEZOGMOVIZLKT-UHFFFAOYSA-N
XLogP3.49
TPSA88.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.94
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4-chlorophenyl)-5-[4-[(3,3-difluoro-1-hydroxycyclobutyl)methoxy]-3-methoxyphenyl]-4H-pyrrolo[3,4-c]pyrazol-6-one
CID 46189853
[2-[4-[2-(4-chlorophenyl)-6-oxo-4H-pyrrolo[3,4-c]pyrazol-5-yl]-2-methoxyphenoxy]-1-cyclopropylethyl] 2-amino-3-methylbutanoate
CID 75167575
[2-[4-[2-(4-chlorophenyl)-6-oxo-4H-pyrrolo[3,4-c]pyrazol-5-yl]-2-methoxyphenoxy]-1-cyclopropylethyl] 3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 76773182
3-(3,4-dimethoxyphenyl)-1-phenyl-N-pyrrolidin-3-ylpyrazole-4-carboxamide;hydrochloride
CID 119452890
2-fluoro-N-methyl-5-(2-oxoimidazolidin-1-yl)-N-[(3R)-pyrrolidin-3-yl]benzamide
CID 124613896
2-(2,4-dichlorophenoxy)-N-methyl-N-pyrrolidin-3-ylacetamide
CID 82177023
2-(2-methoxy-4-methylphenoxy)-N-methyl-N-pyrrolidin-3-ylacetamide
CID 119553158
5-[6-[(3S)-3-aminopyrrolidin-1-yl]-3-pyridinyl]-2-(4-chlorophenyl)-4H-pyrrolo[3,4-c]pyrazol-6-one
CID 46189674
2,5-dimethoxy-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119551921
3-(3,4-dimethoxyphenyl)-N-methyl-N-(1-methylpiperidin-4-yl)-1-phenylpyrazole-4-carboxamide
CID 112795990
2-(4-chlorophenyl)-5-[6-(4-pyrrolidin-1-ylpiperidin-1-yl)-3-pyridinyl]-4H-pyrrolo[3,4-c]pyrazol-6-one;hydrochloride
CID 46189308
2-(2,5-dimethoxyphenyl)-N-methyl-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119552036

Frequently Asked Questions

What is the IUPAC name of [4-[2-(4-chlorophenyl)-6-oxo-4H-pyrrolo[3,4-c]pyrazol-5-yl]-2-methoxyphenyl] N-methyl-N-pyrrolidin-3-ylcarbamate?
The IUPAC name of [4-[2-(4-chlorophenyl)-6-oxo-4H-pyrrolo[3,4-c]pyrazol-5-yl]-2-methoxyphenyl] N-methyl-N-pyrrolidin-3-ylcarbamate (CID 67304420) is [4-[2-(4-chlorophenyl)-6-oxo-4H-pyrrolo[3,4-c]pyrazol-5-yl]-2-methoxyphenyl] N-methyl-N-pyrrolidin-3-ylcarbamate.
What is the SMILES notation for [4-[2-(4-chlorophenyl)-6-oxo-4H-pyrrolo[3,4-c]pyrazol-5-yl]-2-methoxyphenyl] N-methyl-N-pyrrolidin-3-ylcarbamate?
The canonical SMILES for [4-[2-(4-chlorophenyl)-6-oxo-4H-pyrrolo[3,4-c]pyrazol-5-yl]-2-methoxyphenyl] N-methyl-N-pyrrolidin-3-ylcarbamate is COc1cc(N2Cc3cn(-c4ccc(Cl)cc4)nc3C2=O)ccc1OC(=O)N(C)C1CCNC1.
What is the InChIKey of [4-[2-(4-chlorophenyl)-6-oxo-4H-pyrrolo[3,4-c]pyrazol-5-yl]-2-methoxyphenyl] N-methyl-N-pyrrolidin-3-ylcarbamate?
The InChIKey is CAEZOGMOVIZLKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN5O4/c1-28(19-9-10-26-12-19)24(32)34-20-8-7-18(11-21(20)33-2)29-13-15-14-30(27-22(15)23(29)31)17-5-3-16(25)4-6-17/h3-8,11,14,19,26H,9-10,12-13H2,1-2H3.
What are the key properties of [4-[2-(4-chlorophenyl)-6-oxo-4H-pyrrolo[3,4-c]pyrazol-5-yl]-2-methoxyphenyl] N-methyl-N-pyrrolidin-3-ylcarbamate?
[4-[2-(4-chlorophenyl)-6-oxo-4H-pyrrolo[3,4-c]pyrazol-5-yl]-2-methoxyphenyl] N-methyl-N-pyrrolidin-3-ylcarbamate has a molecular weight of 481.94 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(4-chlorophenyl)-6-oxo-4H-pyrrolo[3,4-c]pyrazol-5-yl]-2-methoxyphenyl] N-methyl-N-pyrrolidin-3-ylcarbamate is sourced from PubChem (CID 67304420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).