(4R)-4-(2-methoxyphenyl)-6-methyl-5-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carbonyl)-3,4-dihydro-1H-pyrimidin-2-one

C20H23N5O3 — CID 95195054

IUPAC(4R)-4-(2-methoxyphenyl)-6-methyl-5-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carbonyl)-3,4-dihydro-1H-pyrimidin-2-one
SMILESCOc1ccccc1[C@H]1NC(=O)NC(C)=C1C(=O)N1CCn2nc(C)cc2C1
InChIInChI=1S/C20H23N5O3/c1-12-10-14-11-24(8-9-25(14)23-12)19(26)17-13(2)21-20(27)22-18(17)15-6-4-5-7-16(15)28-3/h4-7,10,18H,8-9,11H2,1-3H3,(H2,21,22,27)/t18-/m1/s1
InChIKeyXBZDATYMIAMFHQ-GOSISDBHSA-N
MW381.44 g/mol
LogP1.87
Rot. Bonds3

About (4R)-4-(2-methoxyphenyl)-6-methyl-5-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carbonyl)-3,4-dihydro-1H-pyrimidin-2-one

(4R)-4-(2-methoxyphenyl)-6-methyl-5-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carbonyl)-3,4-dihydro-1H-pyrimidin-2-one (PubChem CID 95195054) has the molecular formula C20H23N5O3 and a molecular weight of 381.44 g/mol. Its IUPAC name is (4R)-4-(2-methoxyphenyl)-6-methyl-5-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carbonyl)-3,4-dihydro-1H-pyrimidin-2-one.

Molecular Properties

Compound Name(4R)-4-(2-methoxyphenyl)-6-methyl-5-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carbonyl)-3,4-dihydro-1H-pyrimidin-2-one
PubChem CID95195054
Molecular FormulaC20H23N5O3
Molecular Weight381.44 g/mol
Exact Mass381.18
IUPAC Name(4R)-4-(2-methoxyphenyl)-6-methyl-5-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carbonyl)-3,4-dihydro-1H-pyrimidin-2-one
SMILESCOc1ccccc1[C@H]1NC(=O)NC(C)=C1C(=O)N1CCn2nc(C)cc2C1
InChIInChI=1S/C20H23N5O3/c1-12-10-14-11-24(8-9-25(14)23-12)19(26)17-13(2)21-20(27)22-18(17)15-6-4-5-7-16(15)28-3/h4-7,10,18H,8-9,11H2,1-3H3,(H2,21,22,27)/t18-/m1/s1
InChIKeyXBZDATYMIAMFHQ-GOSISDBHSA-N
XLogP1.87
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (4R)-4-(2-methoxyphenyl)-6-methyl-5-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carbonyl)-3,4-dihydro-1H-pyrimidin-2-one with MolForge

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Related Compounds

propan-2-yl 4-(2-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 2854869
cyclooctyl 4-(2-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 2847243
cyclohexyl (4R)-4-(2-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 691145
butyl (4S)-4-(2-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 7452009
(4S)-N-(2,5-dimethylphenyl)-4-(2-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 40728508
(4S)-N-(5-chloro-2-methoxyphenyl)-4-(2-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 1128004
4-(2-methoxyphenyl)-6-methyl-N-(3-methylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 19616192
(4-methylphenyl)methyl 4-(2-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 2854982
4-(2-methoxyphenyl)-6-methyl-N-(2-methylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 46134950
2-phenoxyethyl (4S)-4-(2-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 7125042
[(2S)-butan-2-yl] (4R)-4-(2-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 722790
methyl (4S)-4-[2-[[2-[(4S)-5-methoxycarbonyl-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidin-4-yl]phenoxy]methoxy]phenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 98152299

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(2-methoxyphenyl)-6-methyl-5-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carbonyl)-3,4-dihydro-1H-pyrimidin-2-one?
The IUPAC name of (4R)-4-(2-methoxyphenyl)-6-methyl-5-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carbonyl)-3,4-dihydro-1H-pyrimidin-2-one (CID 95195054) is (4R)-4-(2-methoxyphenyl)-6-methyl-5-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carbonyl)-3,4-dihydro-1H-pyrimidin-2-one.
What is the SMILES notation for (4R)-4-(2-methoxyphenyl)-6-methyl-5-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carbonyl)-3,4-dihydro-1H-pyrimidin-2-one?
The canonical SMILES for (4R)-4-(2-methoxyphenyl)-6-methyl-5-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carbonyl)-3,4-dihydro-1H-pyrimidin-2-one is COc1ccccc1[C@H]1NC(=O)NC(C)=C1C(=O)N1CCn2nc(C)cc2C1.
What is the InChIKey of (4R)-4-(2-methoxyphenyl)-6-methyl-5-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carbonyl)-3,4-dihydro-1H-pyrimidin-2-one?
The InChIKey is XBZDATYMIAMFHQ-GOSISDBHSA-N. The full InChI is InChI=1S/C20H23N5O3/c1-12-10-14-11-24(8-9-25(14)23-12)19(26)17-13(2)21-20(27)22-18(17)15-6-4-5-7-16(15)28-3/h4-7,10,18H,8-9,11H2,1-3H3,(H2,21,22,27)/t18-/m1/s1.
What are the key properties of (4R)-4-(2-methoxyphenyl)-6-methyl-5-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carbonyl)-3,4-dihydro-1H-pyrimidin-2-one?
(4R)-4-(2-methoxyphenyl)-6-methyl-5-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carbonyl)-3,4-dihydro-1H-pyrimidin-2-one has a molecular weight of 381.44 g/mol, XLogP of 1.87, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(2-methoxyphenyl)-6-methyl-5-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carbonyl)-3,4-dihydro-1H-pyrimidin-2-one is sourced from PubChem (CID 95195054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).