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

C18H16N4O2 — CID 51426415

IUPAC(4R)-3-(3-methoxyphenyl)-5-methyl-4-pyridin-2-yl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
SMILESCOc1cccc(-c2n[nH]c3c2[C@H](c2ccccn2)N(C)C3=O)c1
InChIInChI=1S/C18H16N4O2/c1-22-17(13-8-3-4-9-19-13)14-15(20-21-16(14)18(22)23)11-6-5-7-12(10-11)24-2/h3-10,17H,1-2H3,(H,20,21)/t17-/m0/s1
InChIKeyAZKZRKHFYFJKCC-KRWDZBQOSA-N
MW320.35 g/mol
LogP2.66
Rot. Bonds3

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

(4R)-3-(3-methoxyphenyl)-5-methyl-4-pyridin-2-yl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one (PubChem CID 51426415) has the molecular formula C18H16N4O2 and a molecular weight of 320.35 g/mol. Its IUPAC name is (4R)-3-(3-methoxyphenyl)-5-methyl-4-pyridin-2-yl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one.

Molecular Properties

Compound Name(4R)-3-(3-methoxyphenyl)-5-methyl-4-pyridin-2-yl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
PubChem CID51426415
Molecular FormulaC18H16N4O2
Molecular Weight320.35 g/mol
Exact Mass320.13
IUPAC Name(4R)-3-(3-methoxyphenyl)-5-methyl-4-pyridin-2-yl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
SMILESCOc1cccc(-c2n[nH]c3c2[C@H](c2ccccn2)N(C)C3=O)c1
InChIInChI=1S/C18H16N4O2/c1-22-17(13-8-3-4-9-19-13)14-15(20-21-16(14)18(22)23)11-6-5-7-12(10-11)24-2/h3-10,17H,1-2H3,(H,20,21)/t17-/m0/s1
InChIKeyAZKZRKHFYFJKCC-KRWDZBQOSA-N
XLogP2.66
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4S)-5-(2-methoxyethyl)-3-(3-methoxyphenyl)-4-pyridin-2-yl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 42536706
(4R)-5-methyl-3-(4-methylphenyl)-4-pyridin-2-yl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 92720845
(4R)-3-(3-methoxyphenyl)-5-propyl-4-thiophen-2-yl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 51426467
4-(4-hydroxyphenyl)-5-(2-methoxyethyl)-3-(3-methoxyphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 42649301
(4R)-4-(3-hydroxyphenyl)-5-(2-methoxyethyl)-3-(3-methoxyphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 42535538
3-(3-methoxyphenyl)-4-phenyl-4,5-dihydro-1H-pyrrolo[3,4-d]pyrazol-6-one
CID 19616411
(4S)-4-(3-ethoxy-4-hydroxyphenyl)-3-(3-methoxyphenyl)-5-propyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 51426463
4-[4-(3-methoxyphenyl)-6-oxo-3-phenyl-1,4-dihydropyrrolo[3,4-d]pyrazol-5-yl]benzoic acid
CID 11957226
4-(3-methoxyphenyl)-3,5-dimethyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
CID 6490775
(4R)-5-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3-(3-methoxyphenyl)-4-(4-methoxyphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 42536782
4-(2,4-dimethoxyphenyl)-5-[2-(4-methoxyphenyl)ethyl]-3-phenyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 43855350
4-(2,5-dimethoxyphenyl)-3,5-diphenyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 5345148

Frequently Asked Questions

What is the IUPAC name of (4R)-3-(3-methoxyphenyl)-5-methyl-4-pyridin-2-yl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one?
The IUPAC name of (4R)-3-(3-methoxyphenyl)-5-methyl-4-pyridin-2-yl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one (CID 51426415) is (4R)-3-(3-methoxyphenyl)-5-methyl-4-pyridin-2-yl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one.
What is the SMILES notation for (4R)-3-(3-methoxyphenyl)-5-methyl-4-pyridin-2-yl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one?
The canonical SMILES for (4R)-3-(3-methoxyphenyl)-5-methyl-4-pyridin-2-yl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one is COc1cccc(-c2n[nH]c3c2[C@H](c2ccccn2)N(C)C3=O)c1.
What is the InChIKey of (4R)-3-(3-methoxyphenyl)-5-methyl-4-pyridin-2-yl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one?
The InChIKey is AZKZRKHFYFJKCC-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H16N4O2/c1-22-17(13-8-3-4-9-19-13)14-15(20-21-16(14)18(22)23)11-6-5-7-12(10-11)24-2/h3-10,17H,1-2H3,(H,20,21)/t17-/m0/s1.
What are the key properties of (4R)-3-(3-methoxyphenyl)-5-methyl-4-pyridin-2-yl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one?
(4R)-3-(3-methoxyphenyl)-5-methyl-4-pyridin-2-yl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one has a molecular weight of 320.35 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-(3-methoxyphenyl)-5-methyl-4-pyridin-2-yl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one is sourced from PubChem (CID 51426415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).