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

C26H24Cl2FN5O — CID 71585577

IUPAC5-(3-chloro-2-fluorophenyl)-4-(4-chloro-2-methylphenyl)-2-[2-(1H-imidazol-5-yl)ethyl]-3-propan-2-yl-4H-pyrrolo[3,4-c]pyrazol-6-one
SMILESCc1cc(Cl)ccc1C1c2c(nn(CCc3cnc[nH]3)c2C(C)C)C(=O)N1c1cccc(Cl)c1F
InChIInChI=1S/C26H24Cl2FN5O/c1-14(2)24-21-23(32-33(24)10-9-17-12-30-13-31-17)26(35)34(20-6-4-5-19(28)22(20)29)25(21)18-8-7-16(27)11-15(18)3/h4-8,11-14,25H,9-10H2,1-3H3,(H,30,31)
InChIKeyDGWXQHKAOFMVFK-UHFFFAOYSA-N
MW512.42 g/mol
LogP6.48
Rot. Bonds6

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

5-(3-chloro-2-fluorophenyl)-4-(4-chloro-2-methylphenyl)-2-[2-(1H-imidazol-5-yl)ethyl]-3-propan-2-yl-4H-pyrrolo[3,4-c]pyrazol-6-one (PubChem CID 71585577) has the molecular formula C26H24Cl2FN5O and a molecular weight of 512.42 g/mol. Its IUPAC name is 5-(3-chloro-2-fluorophenyl)-4-(4-chloro-2-methylphenyl)-2-[2-(1H-imidazol-5-yl)ethyl]-3-propan-2-yl-4H-pyrrolo[3,4-c]pyrazol-6-one.

Molecular Properties

Compound Name5-(3-chloro-2-fluorophenyl)-4-(4-chloro-2-methylphenyl)-2-[2-(1H-imidazol-5-yl)ethyl]-3-propan-2-yl-4H-pyrrolo[3,4-c]pyrazol-6-one
PubChem CID71585577
Molecular FormulaC26H24Cl2FN5O
Molecular Weight512.42 g/mol
Exact Mass511.13
IUPAC Name5-(3-chloro-2-fluorophenyl)-4-(4-chloro-2-methylphenyl)-2-[2-(1H-imidazol-5-yl)ethyl]-3-propan-2-yl-4H-pyrrolo[3,4-c]pyrazol-6-one
SMILESCc1cc(Cl)ccc1C1c2c(nn(CCc3cnc[nH]3)c2C(C)C)C(=O)N1c1cccc(Cl)c1F
InChIInChI=1S/C26H24Cl2FN5O/c1-14(2)24-21-23(32-33(24)10-9-17-12-30-13-31-17)26(35)34(20-6-4-5-19(28)22(20)29)25(21)18-8-7-16(27)11-15(18)3/h4-8,11-14,25H,9-10H2,1-3H3,(H,30,31)
InChIKeyDGWXQHKAOFMVFK-UHFFFAOYSA-N
XLogP6.48
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.42
LogP ≤ 56.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-2-fluorophenyl)-4-(4-chloro-2-methylphenyl)-2-[2-(1H-imidazol-5-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-chloro-2-methylphenyl)-2-[2-(1H-imidazol-5-yl)ethyl]-3-propan-2-yl-4H-pyrrolo[3,4-c]pyrazol-6-one (CID 71585577) is 5-(3-chloro-2-fluorophenyl)-4-(4-chloro-2-methylphenyl)-2-[2-(1H-imidazol-5-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-chloro-2-methylphenyl)-2-[2-(1H-imidazol-5-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-chloro-2-methylphenyl)-2-[2-(1H-imidazol-5-yl)ethyl]-3-propan-2-yl-4H-pyrrolo[3,4-c]pyrazol-6-one is Cc1cc(Cl)ccc1C1c2c(nn(CCc3cnc[nH]3)c2C(C)C)C(=O)N1c1cccc(Cl)c1F.
What is the InChIKey of 5-(3-chloro-2-fluorophenyl)-4-(4-chloro-2-methylphenyl)-2-[2-(1H-imidazol-5-yl)ethyl]-3-propan-2-yl-4H-pyrrolo[3,4-c]pyrazol-6-one?
The InChIKey is DGWXQHKAOFMVFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24Cl2FN5O/c1-14(2)24-21-23(32-33(24)10-9-17-12-30-13-31-17)26(35)34(20-6-4-5-19(28)22(20)29)25(21)18-8-7-16(27)11-15(18)3/h4-8,11-14,25H,9-10H2,1-3H3,(H,30,31).
What are the key properties of 5-(3-chloro-2-fluorophenyl)-4-(4-chloro-2-methylphenyl)-2-[2-(1H-imidazol-5-yl)ethyl]-3-propan-2-yl-4H-pyrrolo[3,4-c]pyrazol-6-one?
5-(3-chloro-2-fluorophenyl)-4-(4-chloro-2-methylphenyl)-2-[2-(1H-imidazol-5-yl)ethyl]-3-propan-2-yl-4H-pyrrolo[3,4-c]pyrazol-6-one has a molecular weight of 512.42 g/mol, XLogP of 6.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloro-2-fluorophenyl)-4-(4-chloro-2-methylphenyl)-2-[2-(1H-imidazol-5-yl)ethyl]-3-propan-2-yl-4H-pyrrolo[3,4-c]pyrazol-6-one is sourced from PubChem (CID 71585577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).