(4R)-4-(4-chlorophenyl)-1-cyclopropyl-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-(methoxymethyl)-4H-pyrrolo[3,4-d]pyrazol-6-one

C23H23ClN4O3 — CID 91826360

IUPAC(4R)-4-(4-chlorophenyl)-1-cyclopropyl-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-(methoxymethyl)-4H-pyrrolo[3,4-d]pyrazol-6-one
SMILESCOCc1nn(C2CC2)c2c1[C@@H](c1ccc(Cl)cc1)N(c1cc(C)c(=O)n(C)c1)C2=O
InChIInChI=1S/C23H23ClN4O3/c1-13-10-17(11-26(2)22(13)29)27-20(14-4-6-15(24)7-5-14)19-18(12-31-3)25-28(16-8-9-16)21(19)23(27)30/h4-7,10-11,16,20H,8-9,12H2,1-3H3/t20-/m1/s1
InChIKeyPYJQEIWIODYCRH-HXUWFJFHSA-N
MW438.92 g/mol
LogP3.77
Rot. Bonds5

About (4R)-4-(4-chlorophenyl)-1-cyclopropyl-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-(methoxymethyl)-4H-pyrrolo[3,4-d]pyrazol-6-one

(4R)-4-(4-chlorophenyl)-1-cyclopropyl-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-(methoxymethyl)-4H-pyrrolo[3,4-d]pyrazol-6-one (PubChem CID 91826360) has the molecular formula C23H23ClN4O3 and a molecular weight of 438.92 g/mol. Its IUPAC name is (4R)-4-(4-chlorophenyl)-1-cyclopropyl-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-(methoxymethyl)-4H-pyrrolo[3,4-d]pyrazol-6-one.

Molecular Properties

Compound Name(4R)-4-(4-chlorophenyl)-1-cyclopropyl-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-(methoxymethyl)-4H-pyrrolo[3,4-d]pyrazol-6-one
PubChem CID91826360
Molecular FormulaC23H23ClN4O3
Molecular Weight438.92 g/mol
Exact Mass438.15
IUPAC Name(4R)-4-(4-chlorophenyl)-1-cyclopropyl-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-(methoxymethyl)-4H-pyrrolo[3,4-d]pyrazol-6-one
SMILESCOCc1nn(C2CC2)c2c1[C@@H](c1ccc(Cl)cc1)N(c1cc(C)c(=O)n(C)c1)C2=O
InChIInChI=1S/C23H23ClN4O3/c1-13-10-17(11-26(2)22(13)29)27-20(14-4-6-15(24)7-5-14)19-18(12-31-3)25-28(16-8-9-16)21(19)23(27)30/h4-7,10-11,16,20H,8-9,12H2,1-3H3/t20-/m1/s1
InChIKeyPYJQEIWIODYCRH-HXUWFJFHSA-N
XLogP3.77
TPSA69.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.92
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (4R)-4-(4-chlorophenyl)-1-cyclopropyl-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-(methoxymethyl)-4H-pyrrolo[3,4-d]pyrazol-6-one with MolForge

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Launch Full Analysis

Related Compounds

1-(azetidin-3-yl)-4-(4-chlorophenyl)-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-methyl-4H-pyrrolo[3,4-d]pyrazol-6-one
CID 91826339
3-[4-(4-chlorophenyl)-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-methyl-6-oxo-4H-pyrrolo[3,4-d]pyrazol-1-yl]azetidine-1-carboxylic acid
CID 130234503
4-(4-chlorophenyl)-2-cyclopropyl-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-4H-pyrrolo[3,4-c]pyrazol-6-one
CID 86294479
(4R)-4-(4-chlorophenyl)-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-1-(2-methoxy-3-pyridinyl)-3-methyl-4H-pyrrolo[3,4-d]pyrazol-6-one
CID 91826329
5-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-4-(4-chlorophenyl)-1,3-dimethyl-4H-pyrrolo[3,4-d]pyrazol-6-one
CID 86292000
4-(4-chlorophenyl)-5-(3,8-dimethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-3-methyl-1-(1-methylazetidin-3-yl)-4H-pyrrolo[3,4-d]pyrazol-6-one
CID 91826356
6-(4-chlorophenyl)-3-cyclopropyl-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-1-(2-methylpyrazol-3-yl)-6H-pyrrolo[3,4-d]pyrazol-4-one
CID 86343544
3-tert-butyl-4-(4-chlorophenyl)-2-cyclopropyl-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-4H-pyrrolo[3,4-d]imidazol-6-one
CID 86567571
ethyl 3-[4-(4-chlorophenyl)-5-(3,8-dimethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-3-methyl-6-oxo-4H-pyrrolo[3,4-d]pyrazol-1-yl]azetidine-1-carboxylate
CID 91826355
6-(4-chlorophenyl)-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-2-(5-fluoro-2-methoxy-4-pyridinyl)-3-propyl-6H-pyrrolo[3,4-d]imidazol-4-one
CID 86567636
6-(4-chlorophenyl)-3-cyclopropyl-5-(3,8-dimethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1-(2-methoxyethyl)-6H-pyrrolo[3,4-d]pyrazol-4-one
CID 121268849
(4R)-4-(4-chlorophenyl)-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-propan-2-yl-2-(1,3-thiazol-2-yl)-4H-pyrrolo[3,4-d]imidazol-6-one
CID 86567503

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(4-chlorophenyl)-1-cyclopropyl-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-(methoxymethyl)-4H-pyrrolo[3,4-d]pyrazol-6-one?
The IUPAC name of (4R)-4-(4-chlorophenyl)-1-cyclopropyl-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-(methoxymethyl)-4H-pyrrolo[3,4-d]pyrazol-6-one (CID 91826360) is (4R)-4-(4-chlorophenyl)-1-cyclopropyl-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-(methoxymethyl)-4H-pyrrolo[3,4-d]pyrazol-6-one.
What is the SMILES notation for (4R)-4-(4-chlorophenyl)-1-cyclopropyl-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-(methoxymethyl)-4H-pyrrolo[3,4-d]pyrazol-6-one?
The canonical SMILES for (4R)-4-(4-chlorophenyl)-1-cyclopropyl-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-(methoxymethyl)-4H-pyrrolo[3,4-d]pyrazol-6-one is COCc1nn(C2CC2)c2c1[C@@H](c1ccc(Cl)cc1)N(c1cc(C)c(=O)n(C)c1)C2=O.
What is the InChIKey of (4R)-4-(4-chlorophenyl)-1-cyclopropyl-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-(methoxymethyl)-4H-pyrrolo[3,4-d]pyrazol-6-one?
The InChIKey is PYJQEIWIODYCRH-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H23ClN4O3/c1-13-10-17(11-26(2)22(13)29)27-20(14-4-6-15(24)7-5-14)19-18(12-31-3)25-28(16-8-9-16)21(19)23(27)30/h4-7,10-11,16,20H,8-9,12H2,1-3H3/t20-/m1/s1.
What are the key properties of (4R)-4-(4-chlorophenyl)-1-cyclopropyl-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-(methoxymethyl)-4H-pyrrolo[3,4-d]pyrazol-6-one?
(4R)-4-(4-chlorophenyl)-1-cyclopropyl-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-(methoxymethyl)-4H-pyrrolo[3,4-d]pyrazol-6-one has a molecular weight of 438.92 g/mol, XLogP of 3.77, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(4-chlorophenyl)-1-cyclopropyl-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-(methoxymethyl)-4H-pyrrolo[3,4-d]pyrazol-6-one is sourced from PubChem (CID 91826360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).