5-(3-chloro-2-fluorophenyl)-4-(4-chlorophenyl)-2-[2-(3-ethyl-2-oxoimidazolidin-1-yl)ethyl]-3-propan-2-yl-4H-pyrrolo[3,4-c]pyrazol-6-one

C27H28Cl2FN5O2 — CID 71585687

IUPAC5-(3-chloro-2-fluorophenyl)-4-(4-chlorophenyl)-2-[2-(3-ethyl-2-oxoimidazolidin-1-yl)ethyl]-3-propan-2-yl-4H-pyrrolo[3,4-c]pyrazol-6-one
SMILESCCN1CCN(CCn2nc3c(c2C(C)C)C(c2ccc(Cl)cc2)N(c2cccc(Cl)c2F)C3=O)C1=O
InChIInChI=1S/C27H28Cl2FN5O2/c1-4-32-12-13-33(27(32)37)14-15-34-24(16(2)3)21-23(31-34)26(36)35(20-7-5-6-19(29)22(20)30)25(21)17-8-10-18(28)11-9-17/h5-11,16,25H,4,12-15H2,1-3H3
InChIKeyKAKMQHCSBWFALW-UHFFFAOYSA-N
MW544.46 g/mol
LogP5.96
Rot. Bonds7

About 5-(3-chloro-2-fluorophenyl)-4-(4-chlorophenyl)-2-[2-(3-ethyl-2-oxoimidazolidin-1-yl)ethyl]-3-propan-2-yl-4H-pyrrolo[3,4-c]pyrazol-6-one

5-(3-chloro-2-fluorophenyl)-4-(4-chlorophenyl)-2-[2-(3-ethyl-2-oxoimidazolidin-1-yl)ethyl]-3-propan-2-yl-4H-pyrrolo[3,4-c]pyrazol-6-one (PubChem CID 71585687) has the molecular formula C27H28Cl2FN5O2 and a molecular weight of 544.46 g/mol. Its IUPAC name is 5-(3-chloro-2-fluorophenyl)-4-(4-chlorophenyl)-2-[2-(3-ethyl-2-oxoimidazolidin-1-yl)ethyl]-3-propan-2-yl-4H-pyrrolo[3,4-c]pyrazol-6-one.

Molecular Properties

Compound Name5-(3-chloro-2-fluorophenyl)-4-(4-chlorophenyl)-2-[2-(3-ethyl-2-oxoimidazolidin-1-yl)ethyl]-3-propan-2-yl-4H-pyrrolo[3,4-c]pyrazol-6-one
PubChem CID71585687
Molecular FormulaC27H28Cl2FN5O2
Molecular Weight544.46 g/mol
Exact Mass543.16
IUPAC Name5-(3-chloro-2-fluorophenyl)-4-(4-chlorophenyl)-2-[2-(3-ethyl-2-oxoimidazolidin-1-yl)ethyl]-3-propan-2-yl-4H-pyrrolo[3,4-c]pyrazol-6-one
SMILESCCN1CCN(CCn2nc3c(c2C(C)C)C(c2ccc(Cl)cc2)N(c2cccc(Cl)c2F)C3=O)C1=O
InChIInChI=1S/C27H28Cl2FN5O2/c1-4-32-12-13-33(27(32)37)14-15-34-24(16(2)3)21-23(31-34)26(36)35(20-7-5-6-19(29)22(20)30)25(21)17-8-10-18(28)11-9-17/h5-11,16,25H,4,12-15H2,1-3H3
InChIKeyKAKMQHCSBWFALW-UHFFFAOYSA-N
XLogP5.96
TPSA61.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.46
LogP ≤ 55.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-(3-chloro-2-fluorophenyl)-4-(4-chlorophenyl)-2-[2-(3-ethyl-2-oxoimidazolidin-1-yl)ethyl]-3-propan-2-yl-4H-pyrrolo[3,4-c]pyrazol-6-one with MolForge

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Related Compounds

Nvs-bet-1
CID 86294693
5-(3-chloro-2-fluorophenyl)-4-(4-chloro-2-methylphenyl)-3-propan-2-yl-2-(pyridin-2-ylmethyl)-4H-pyrrolo[3,4-c]pyrazol-6-one
CID 71585475
Nvs-bet-2
CID 86291792
5-(5-chloro-1-methyl-6-oxo-1,6-dihydropyridin-3-yl)-4-(4-chlorophenyl)-1-cyclopropyl-3-methyl-4,5-dihydropyrrolo[3,4-c]pyrazol-6(1H)-one
CID 86294098
4-(4-chloro-2-fluorophenyl)-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-1-ethyl-3-methyl-4H-pyrrolo[3,4-d]pyrazol-6-one
CID 91826363
N-(3-chloro-4-fluorophenyl)-14-methyl-15-oxo-4,8,9,14-tetrazatricyclo[7.6.0.02,7]pentadeca-1,7-diene-4-carboxamide
CID 145435009
4-(4-chloro-2-methylphenyl)-5-(5-chloro-2-methylphenyl)-2-[2-(4-methylpiperazin-1-yl)ethyl]-3-propan-2-yl-4H-pyrrolo[3,4-c]pyrazol-6-one
CID 71586366
5-(3-Chlorophenyl)-4-(4-chlorophenyl)-3-propan-2-yl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
CID 155532296
3-Tert-butyl-5-(3-chlorophenyl)-4-(4-chlorophenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
CID 155547578
5-(3-Chlorophenyl)-4-(4-chlorophenyl)-3-methyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
CID 155563628
5-(3-chloro-2-fluorophenyl)-4-(4-chloro-2-methylphenyl)-2-(oxan-4-yl)-3-propan-2-yl-4H-pyrrolo[3,4-c]pyrazol-6-one
CID 71585177
5-(3-chloro-2-fluorophenyl)-4-(4-chloro-2-methylphenyl)-3-propan-2-yl-2-(pyridin-3-ylmethyl)-4H-pyrrolo[3,4-c]pyrazol-6-one
CID 71585476

Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-2-fluorophenyl)-4-(4-chlorophenyl)-2-[2-(3-ethyl-2-oxoimidazolidin-1-yl)ethyl]-3-propan-2-yl-4H-pyrrolo[3,4-c]pyrazol-6-one?
The IUPAC name of 5-(3-chloro-2-fluorophenyl)-4-(4-chlorophenyl)-2-[2-(3-ethyl-2-oxoimidazolidin-1-yl)ethyl]-3-propan-2-yl-4H-pyrrolo[3,4-c]pyrazol-6-one (CID 71585687) is 5-(3-chloro-2-fluorophenyl)-4-(4-chlorophenyl)-2-[2-(3-ethyl-2-oxoimidazolidin-1-yl)ethyl]-3-propan-2-yl-4H-pyrrolo[3,4-c]pyrazol-6-one.
What is the SMILES notation for 5-(3-chloro-2-fluorophenyl)-4-(4-chlorophenyl)-2-[2-(3-ethyl-2-oxoimidazolidin-1-yl)ethyl]-3-propan-2-yl-4H-pyrrolo[3,4-c]pyrazol-6-one?
The canonical SMILES for 5-(3-chloro-2-fluorophenyl)-4-(4-chlorophenyl)-2-[2-(3-ethyl-2-oxoimidazolidin-1-yl)ethyl]-3-propan-2-yl-4H-pyrrolo[3,4-c]pyrazol-6-one is CCN1CCN(CCn2nc3c(c2C(C)C)C(c2ccc(Cl)cc2)N(c2cccc(Cl)c2F)C3=O)C1=O.
What is the InChIKey of 5-(3-chloro-2-fluorophenyl)-4-(4-chlorophenyl)-2-[2-(3-ethyl-2-oxoimidazolidin-1-yl)ethyl]-3-propan-2-yl-4H-pyrrolo[3,4-c]pyrazol-6-one?
The InChIKey is KAKMQHCSBWFALW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28Cl2FN5O2/c1-4-32-12-13-33(27(32)37)14-15-34-24(16(2)3)21-23(31-34)26(36)35(20-7-5-6-19(29)22(20)30)25(21)17-8-10-18(28)11-9-17/h5-11,16,25H,4,12-15H2,1-3H3.
What are the key properties of 5-(3-chloro-2-fluorophenyl)-4-(4-chlorophenyl)-2-[2-(3-ethyl-2-oxoimidazolidin-1-yl)ethyl]-3-propan-2-yl-4H-pyrrolo[3,4-c]pyrazol-6-one?
5-(3-chloro-2-fluorophenyl)-4-(4-chlorophenyl)-2-[2-(3-ethyl-2-oxoimidazolidin-1-yl)ethyl]-3-propan-2-yl-4H-pyrrolo[3,4-c]pyrazol-6-one has a molecular weight of 544.46 g/mol, XLogP of 5.96, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloro-2-fluorophenyl)-4-(4-chlorophenyl)-2-[2-(3-ethyl-2-oxoimidazolidin-1-yl)ethyl]-3-propan-2-yl-4H-pyrrolo[3,4-c]pyrazol-6-one is sourced from PubChem (CID 71585687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).