(2R)-2-(4-methylphenyl)-1-[2-[(3R)-pyrrolidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]propan-1-one

C21H26N4O — CID 92556633

IUPAC(2R)-2-(4-methylphenyl)-1-[2-[(3R)-pyrrolidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]propan-1-one
SMILESCc1ccc([C@@H](C)C(=O)N2CCc3nc([C@@H]4CCNC4)ncc3C2)cc1
InChIInChI=1S/C21H26N4O/c1-14-3-5-16(6-4-14)15(2)21(26)25-10-8-19-18(13-25)12-23-20(24-19)17-7-9-22-11-17/h3-6,12,15,17,22H,7-11,13H2,1-2H3/t15-,17-/m1/s1
InChIKeyRYYJTGDDRKABHR-NVXWUHKLSA-N
MW350.47 g/mol
LogP2.55
Rot. Bonds3

About (2R)-2-(4-methylphenyl)-1-[2-[(3R)-pyrrolidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]propan-1-one

(2R)-2-(4-methylphenyl)-1-[2-[(3R)-pyrrolidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]propan-1-one (PubChem CID 92556633) has the molecular formula C21H26N4O and a molecular weight of 350.47 g/mol. Its IUPAC name is (2R)-2-(4-methylphenyl)-1-[2-[(3R)-pyrrolidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]propan-1-one.

Molecular Properties

Compound Name(2R)-2-(4-methylphenyl)-1-[2-[(3R)-pyrrolidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]propan-1-one
PubChem CID92556633
Molecular FormulaC21H26N4O
Molecular Weight350.47 g/mol
Exact Mass350.21
IUPAC Name(2R)-2-(4-methylphenyl)-1-[2-[(3R)-pyrrolidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]propan-1-one
SMILESCc1ccc([C@@H](C)C(=O)N2CCc3nc([C@@H]4CCNC4)ncc3C2)cc1
InChIInChI=1S/C21H26N4O/c1-14-3-5-16(6-4-14)15(2)21(26)25-10-8-19-18(13-25)12-23-20(24-19)17-7-9-22-11-17/h3-6,12,15,17,22H,7-11,13H2,1-2H3/t15-,17-/m1/s1
InChIKeyRYYJTGDDRKABHR-NVXWUHKLSA-N
XLogP2.55
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(4-methylphenoxy)-1-[2-[(3S)-pyrrolidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]propan-1-one
CID 95850712
1-[2-(1-acetylpyrrolidin-3-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-(4-methylphenyl)propan-1-one
CID 110241708
(2R)-2-(3,5-dimethylphenoxy)-1-[2-[(3R)-pyrrolidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]propan-1-one
CID 95850692
(2R)-2-(4-methylphenyl)-1-[2-[(2R)-1-methylpyrrolidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]propan-1-one
CID 92556623
1-[2-(1-acetylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-phenylpropan-1-one
CID 110241791
2-(4-fluorophenyl)-1-(2-pyrrolidin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)ethanone
CID 110241630
(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-(2-pyrrolidin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone
CID 110243600
2-phenoxy-1-(2-pyrrolidin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)ethanone
CID 110243598
(2S)-2-(3-fluorophenoxy)-1-[2-[(3R)-piperidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]propan-1-one
CID 92551346
[4-(ethoxymethyl)phenyl]-[2-[(3S)-pyrrolidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
CID 95850714
(2R)-2-(4-methylphenoxy)-1-[2-[(2S)-pyrrolidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]propan-1-one
CID 92557932
(2-piperidin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
CID 110245887

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-methylphenyl)-1-[2-[(3R)-pyrrolidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]propan-1-one?
The IUPAC name of (2R)-2-(4-methylphenyl)-1-[2-[(3R)-pyrrolidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]propan-1-one (CID 92556633) is (2R)-2-(4-methylphenyl)-1-[2-[(3R)-pyrrolidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]propan-1-one.
What is the SMILES notation for (2R)-2-(4-methylphenyl)-1-[2-[(3R)-pyrrolidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]propan-1-one?
The canonical SMILES for (2R)-2-(4-methylphenyl)-1-[2-[(3R)-pyrrolidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]propan-1-one is Cc1ccc([C@@H](C)C(=O)N2CCc3nc([C@@H]4CCNC4)ncc3C2)cc1.
What is the InChIKey of (2R)-2-(4-methylphenyl)-1-[2-[(3R)-pyrrolidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]propan-1-one?
The InChIKey is RYYJTGDDRKABHR-NVXWUHKLSA-N. The full InChI is InChI=1S/C21H26N4O/c1-14-3-5-16(6-4-14)15(2)21(26)25-10-8-19-18(13-25)12-23-20(24-19)17-7-9-22-11-17/h3-6,12,15,17,22H,7-11,13H2,1-2H3/t15-,17-/m1/s1.
What are the key properties of (2R)-2-(4-methylphenyl)-1-[2-[(3R)-pyrrolidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]propan-1-one?
(2R)-2-(4-methylphenyl)-1-[2-[(3R)-pyrrolidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]propan-1-one has a molecular weight of 350.47 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-methylphenyl)-1-[2-[(3R)-pyrrolidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]propan-1-one is sourced from PubChem (CID 92556633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).