(4R)-5-methyl-3-(4-methylphenyl)-4-pyridin-2-yl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one

C18H16N4O — CID 92720845

IUPAC(4R)-5-methyl-3-(4-methylphenyl)-4-pyridin-2-yl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
SMILESCc1ccc(-c2n[nH]c3c2[C@H](c2ccccn2)N(C)C3=O)cc1
InChIInChI=1S/C18H16N4O/c1-11-6-8-12(9-7-11)15-14-16(21-20-15)18(23)22(2)17(14)13-5-3-4-10-19-13/h3-10,17H,1-2H3,(H,20,21)/t17-/m0/s1
InChIKeyXBUYSVTYZMEYOI-KRWDZBQOSA-N
MW304.35 g/mol
LogP2.96
Rot. Bonds2

About (4R)-5-methyl-3-(4-methylphenyl)-4-pyridin-2-yl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one

(4R)-5-methyl-3-(4-methylphenyl)-4-pyridin-2-yl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one (PubChem CID 92720845) has the molecular formula C18H16N4O and a molecular weight of 304.35 g/mol. Its IUPAC name is (4R)-5-methyl-3-(4-methylphenyl)-4-pyridin-2-yl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one.

Molecular Properties

Compound Name(4R)-5-methyl-3-(4-methylphenyl)-4-pyridin-2-yl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
PubChem CID92720845
Molecular FormulaC18H16N4O
Molecular Weight304.35 g/mol
Exact Mass304.13
IUPAC Name(4R)-5-methyl-3-(4-methylphenyl)-4-pyridin-2-yl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
SMILESCc1ccc(-c2n[nH]c3c2[C@H](c2ccccn2)N(C)C3=O)cc1
InChIInChI=1S/C18H16N4O/c1-11-6-8-12(9-7-11)15-14-16(21-20-15)18(23)22(2)17(14)13-5-3-4-10-19-13/h3-10,17H,1-2H3,(H,20,21)/t17-/m0/s1
InChIKeyXBUYSVTYZMEYOI-KRWDZBQOSA-N
XLogP2.96
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-3-(3-methoxyphenyl)-5-methyl-4-pyridin-2-yl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 51426415
4-(4-methylphenyl)-3-phenyl-5-(2-phenylethyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 43855131
5-benzyl-3,4-bis(4-methylphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 43856230
4-(4-chlorophenyl)-5-(4-methylphenyl)-3-phenyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 4639162
(4S)-5-(2-methoxyethyl)-3-(3-methoxyphenyl)-4-pyridin-2-yl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 42536706
3-(4-methylphenyl)-4-phenyl-5-(pyridin-3-ylmethyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 43856179
4-(4-fluorophenyl)-3-(4-methylphenyl)-5-propyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 43856821
5-(3-imidazol-1-ylpropyl)-4-(4-methylphenyl)-3-phenyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 43855142
5-cyclopentyl-3,4-bis(4-methylphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 43856224
4-(3-bromophenyl)-3-(4-methylphenyl)-5-(2-phenylethyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 43856739
4-(2-chlorophenyl)-5-[(4-methylphenyl)methyl]-3-phenyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 43855529
5-[(4-chlorophenyl)methyl]-4-(4-methylphenyl)-3-phenyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 43855146

Frequently Asked Questions

What is the IUPAC name of (4R)-5-methyl-3-(4-methylphenyl)-4-pyridin-2-yl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one?
The IUPAC name of (4R)-5-methyl-3-(4-methylphenyl)-4-pyridin-2-yl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one (CID 92720845) is (4R)-5-methyl-3-(4-methylphenyl)-4-pyridin-2-yl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one.
What is the SMILES notation for (4R)-5-methyl-3-(4-methylphenyl)-4-pyridin-2-yl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one?
The canonical SMILES for (4R)-5-methyl-3-(4-methylphenyl)-4-pyridin-2-yl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one is Cc1ccc(-c2n[nH]c3c2[C@H](c2ccccn2)N(C)C3=O)cc1.
What is the InChIKey of (4R)-5-methyl-3-(4-methylphenyl)-4-pyridin-2-yl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one?
The InChIKey is XBUYSVTYZMEYOI-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H16N4O/c1-11-6-8-12(9-7-11)15-14-16(21-20-15)18(23)22(2)17(14)13-5-3-4-10-19-13/h3-10,17H,1-2H3,(H,20,21)/t17-/m0/s1.
What are the key properties of (4R)-5-methyl-3-(4-methylphenyl)-4-pyridin-2-yl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one?
(4R)-5-methyl-3-(4-methylphenyl)-4-pyridin-2-yl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one has a molecular weight of 304.35 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-5-methyl-3-(4-methylphenyl)-4-pyridin-2-yl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one is sourced from PubChem (CID 92720845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).