1-cyclopropyl-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-methyl-4-[4-(trifluoromethoxy)phenyl]-4H-pyrrolo[3,4-d]pyrazol-6-one

C23H21F3N4O3 — CID 86293164

IUPAC1-cyclopropyl-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-methyl-4-[4-(trifluoromethoxy)phenyl]-4H-pyrrolo[3,4-d]pyrazol-6-one
SMILESCc1nn(C2CC2)c2c1C(c1ccc(OC(F)(F)F)cc1)N(c1cc(C)c(=O)n(C)c1)C2=O
InChIInChI=1S/C23H21F3N4O3/c1-12-10-16(11-28(3)21(12)31)29-19(14-4-8-17(9-5-14)33-23(24,25)26)18-13(2)27-30(15-6-7-15)20(18)22(29)32/h4-5,8-11,15,19H,6-7H2,1-3H3
InChIKeySKTNIECRSURWAZ-UHFFFAOYSA-N
MW458.44 g/mol
LogP4.18
Rot. Bonds4

About 1-cyclopropyl-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-methyl-4-[4-(trifluoromethoxy)phenyl]-4H-pyrrolo[3,4-d]pyrazol-6-one

1-cyclopropyl-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-methyl-4-[4-(trifluoromethoxy)phenyl]-4H-pyrrolo[3,4-d]pyrazol-6-one (PubChem CID 86293164) has the molecular formula C23H21F3N4O3 and a molecular weight of 458.44 g/mol. Its IUPAC name is 1-cyclopropyl-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-methyl-4-[4-(trifluoromethoxy)phenyl]-4H-pyrrolo[3,4-d]pyrazol-6-one.

Molecular Properties

Compound Name1-cyclopropyl-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-methyl-4-[4-(trifluoromethoxy)phenyl]-4H-pyrrolo[3,4-d]pyrazol-6-one
PubChem CID86293164
Molecular FormulaC23H21F3N4O3
Molecular Weight458.44 g/mol
Exact Mass458.16
IUPAC Name1-cyclopropyl-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-methyl-4-[4-(trifluoromethoxy)phenyl]-4H-pyrrolo[3,4-d]pyrazol-6-one
SMILESCc1nn(C2CC2)c2c1C(c1ccc(OC(F)(F)F)cc1)N(c1cc(C)c(=O)n(C)c1)C2=O
InChIInChI=1S/C23H21F3N4O3/c1-12-10-16(11-28(3)21(12)31)29-19(14-4-8-17(9-5-14)33-23(24,25)26)18-13(2)27-30(15-6-7-15)20(18)22(29)32/h4-5,8-11,15,19H,6-7H2,1-3H3
InChIKeySKTNIECRSURWAZ-UHFFFAOYSA-N
XLogP4.18
TPSA69.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.44
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-methyl-4-[4-(trifluoromethoxy)phenyl]-4H-pyrrolo[3,4-d]pyrazol-6-one?
The IUPAC name of 1-cyclopropyl-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-methyl-4-[4-(trifluoromethoxy)phenyl]-4H-pyrrolo[3,4-d]pyrazol-6-one (CID 86293164) is 1-cyclopropyl-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-methyl-4-[4-(trifluoromethoxy)phenyl]-4H-pyrrolo[3,4-d]pyrazol-6-one.
What is the SMILES notation for 1-cyclopropyl-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-methyl-4-[4-(trifluoromethoxy)phenyl]-4H-pyrrolo[3,4-d]pyrazol-6-one?
The canonical SMILES for 1-cyclopropyl-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-methyl-4-[4-(trifluoromethoxy)phenyl]-4H-pyrrolo[3,4-d]pyrazol-6-one is Cc1nn(C2CC2)c2c1C(c1ccc(OC(F)(F)F)cc1)N(c1cc(C)c(=O)n(C)c1)C2=O.
What is the InChIKey of 1-cyclopropyl-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-methyl-4-[4-(trifluoromethoxy)phenyl]-4H-pyrrolo[3,4-d]pyrazol-6-one?
The InChIKey is SKTNIECRSURWAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F3N4O3/c1-12-10-16(11-28(3)21(12)31)29-19(14-4-8-17(9-5-14)33-23(24,25)26)18-13(2)27-30(15-6-7-15)20(18)22(29)32/h4-5,8-11,15,19H,6-7H2,1-3H3.
What are the key properties of 1-cyclopropyl-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-methyl-4-[4-(trifluoromethoxy)phenyl]-4H-pyrrolo[3,4-d]pyrazol-6-one?
1-cyclopropyl-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-methyl-4-[4-(trifluoromethoxy)phenyl]-4H-pyrrolo[3,4-d]pyrazol-6-one has a molecular weight of 458.44 g/mol, XLogP of 4.18, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-methyl-4-[4-(trifluoromethoxy)phenyl]-4H-pyrrolo[3,4-d]pyrazol-6-one is sourced from PubChem (CID 86293164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).