(2R)-2-(3,5-dimethylpyrazol-1-yl)-1-(2-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)propan-1-one

C20H21N5O — CID 95205878

IUPAC(2R)-2-(3,5-dimethylpyrazol-1-yl)-1-(2-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)propan-1-one
SMILESCc1cc(C)n([C@H](C)C(=O)N2Cc3cnc(-c4ccccc4)nc3C2)n1
InChIInChI=1S/C20H21N5O/c1-13-9-14(2)25(23-13)15(3)20(26)24-11-17-10-21-19(22-18(17)12-24)16-7-5-4-6-8-16/h4-10,15H,11-12H2,1-3H3/t15-/m1/s1
InChIKeyGDWYGJBGNDKRER-OAHLLOKOSA-N
MW347.42 g/mol
LogP3.06
Rot. Bonds3

About (2R)-2-(3,5-dimethylpyrazol-1-yl)-1-(2-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)propan-1-one

(2R)-2-(3,5-dimethylpyrazol-1-yl)-1-(2-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)propan-1-one (PubChem CID 95205878) has the molecular formula C20H21N5O and a molecular weight of 347.42 g/mol. Its IUPAC name is (2R)-2-(3,5-dimethylpyrazol-1-yl)-1-(2-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)propan-1-one.

Molecular Properties

Compound Name(2R)-2-(3,5-dimethylpyrazol-1-yl)-1-(2-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)propan-1-one
PubChem CID95205878
Molecular FormulaC20H21N5O
Molecular Weight347.42 g/mol
Exact Mass347.17
IUPAC Name(2R)-2-(3,5-dimethylpyrazol-1-yl)-1-(2-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)propan-1-one
SMILESCc1cc(C)n([C@H](C)C(=O)N2Cc3cnc(-c4ccccc4)nc3C2)n1
InChIInChI=1S/C20H21N5O/c1-13-9-14(2)25(23-13)15(3)20(26)24-11-17-10-21-19(22-18(17)12-24)16-7-5-4-6-8-16/h4-10,15H,11-12H2,1-3H3/t15-/m1/s1
InChIKeyGDWYGJBGNDKRER-OAHLLOKOSA-N
XLogP3.06
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2R)-1-oxo-1-(2-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)butan-2-yl]acetamide
CID 56748005
(4R)-1-(2-methylpropyl)-4-(2-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)pyrrolidin-2-one
CID 95221109
(4-chloro-2-methoxyphenyl)-(2-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)methanone
CID 56752349
2-phenyl-4-(2-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)-1H-pyrimidin-6-one
CID 136983025
N-(2-methylpropyl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 53147267
2-(3,5-dimethylpyrazol-1-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
CID 47986482
6-(2,5-dimethylpyrimidin-4-yl)-2-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidine
CID 56740788
2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)propan-1-one
CID 56754351
(2R)-1-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-2-phenylbutan-1-one
CID 95226511
2-(3,5-dimethylpyrazol-1-yl)-1-(2-methyl-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)propan-1-one
CID 56877518
(2R)-1-(1-cyclopropyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-2-(3,5-dimethylpyrazol-1-yl)propan-1-one
CID 97211641
(4S)-4-(2-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)-1-oxaspiro[4.4]nonan-2-one
CID 125169350

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3,5-dimethylpyrazol-1-yl)-1-(2-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)propan-1-one?
The IUPAC name of (2R)-2-(3,5-dimethylpyrazol-1-yl)-1-(2-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)propan-1-one (CID 95205878) is (2R)-2-(3,5-dimethylpyrazol-1-yl)-1-(2-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)propan-1-one.
What is the SMILES notation for (2R)-2-(3,5-dimethylpyrazol-1-yl)-1-(2-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)propan-1-one?
The canonical SMILES for (2R)-2-(3,5-dimethylpyrazol-1-yl)-1-(2-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)propan-1-one is Cc1cc(C)n([C@H](C)C(=O)N2Cc3cnc(-c4ccccc4)nc3C2)n1.
What is the InChIKey of (2R)-2-(3,5-dimethylpyrazol-1-yl)-1-(2-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)propan-1-one?
The InChIKey is GDWYGJBGNDKRER-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H21N5O/c1-13-9-14(2)25(23-13)15(3)20(26)24-11-17-10-21-19(22-18(17)12-24)16-7-5-4-6-8-16/h4-10,15H,11-12H2,1-3H3/t15-/m1/s1.
What are the key properties of (2R)-2-(3,5-dimethylpyrazol-1-yl)-1-(2-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)propan-1-one?
(2R)-2-(3,5-dimethylpyrazol-1-yl)-1-(2-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)propan-1-one has a molecular weight of 347.42 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3,5-dimethylpyrazol-1-yl)-1-(2-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)propan-1-one is sourced from PubChem (CID 95205878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).