(7R)-6-benzyl-7-methyl-4-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-5-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

C21H26N4O2S — CID 137366439

IUPAC(7R)-6-benzyl-7-methyl-4-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-5-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESC[C@@H]1Cc2ncnc(C3=CCCN(S(C)(=O)=O)C3)c2CN1Cc1ccccc1
InChIInChI=1S/C21H26N4O2S/c1-16-11-20-19(14-24(16)12-17-7-4-3-5-8-17)21(23-15-22-20)18-9-6-10-25(13-18)28(2,26)27/h3-5,7-9,15-16H,6,10-14H2,1-2H3/t16-/m1/s1
InChIKeyRPMCLKXSFBJIKC-MRXNPFEDSA-N
MW398.53 g/mol
LogP2.47
Rot. Bonds4

About (7R)-6-benzyl-7-methyl-4-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-5-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

(7R)-6-benzyl-7-methyl-4-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-5-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 137366439) has the molecular formula C21H26N4O2S and a molecular weight of 398.53 g/mol. Its IUPAC name is (7R)-6-benzyl-7-methyl-4-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-5-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name(7R)-6-benzyl-7-methyl-4-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-5-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID137366439
Molecular FormulaC21H26N4O2S
Molecular Weight398.53 g/mol
Exact Mass398.18
IUPAC Name(7R)-6-benzyl-7-methyl-4-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-5-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESC[C@@H]1Cc2ncnc(C3=CCCN(S(C)(=O)=O)C3)c2CN1Cc1ccccc1
InChIInChI=1S/C21H26N4O2S/c1-16-11-20-19(14-24(16)12-17-7-4-3-5-8-17)21(23-15-22-20)18-9-6-10-25(13-18)28(2,26)27/h3-5,7-9,15-16H,6,10-14H2,1-2H3/t16-/m1/s1
InChIKeyRPMCLKXSFBJIKC-MRXNPFEDSA-N
XLogP2.47
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.53
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (7R)-6-benzyl-7-methyl-4-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-5-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-benzyl-7-methyl-4-(4-methylsulfonylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 137366466
(3aR,6aR)-2-benzyl-5-methylsulfonyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 129355444
(7R)-7-methyl-4-[(3S)-1-methylsulfonylpiperidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylic acid
CID 137366385
2-benzyl-5-methylsulfonyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine
CID 169416004
1-benzyl-2-methyl-4-(2-methylphenyl)sulfonylpiperazine
CID 110657924
1-benzyl-7-methyl-1,4-diazepane
CID 56828058
(4S,6S)-1-benzyl-4,6-dimethylpiperidin-3-one
CID 95242128
7-benzyl-4-phenyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 58378136
(1R,5R)-6-benzyl-3-methylsulfonyl-3,6-diazabicyclo[3.2.2]nonane
CID 70739460
4-benzyl-2-methyl-1-methylsulfonylpiperazine
CID 72691051
4-benzyl-5-methyl-1-(5-piperidin-1-ylsulfonyl-2-pyridinyl)-1,4-diazepane
CID 133332497
2-benzyl-3-methyl-5-(3-phenylpropyl)-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 142759302

Frequently Asked Questions

What is the IUPAC name of (7R)-6-benzyl-7-methyl-4-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-5-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of (7R)-6-benzyl-7-methyl-4-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-5-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 137366439) is (7R)-6-benzyl-7-methyl-4-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-5-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for (7R)-6-benzyl-7-methyl-4-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-5-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for (7R)-6-benzyl-7-methyl-4-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-5-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is C[C@@H]1Cc2ncnc(C3=CCCN(S(C)(=O)=O)C3)c2CN1Cc1ccccc1.
What is the InChIKey of (7R)-6-benzyl-7-methyl-4-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-5-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is RPMCLKXSFBJIKC-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H26N4O2S/c1-16-11-20-19(14-24(16)12-17-7-4-3-5-8-17)21(23-15-22-20)18-9-6-10-25(13-18)28(2,26)27/h3-5,7-9,15-16H,6,10-14H2,1-2H3/t16-/m1/s1.
What are the key properties of (7R)-6-benzyl-7-methyl-4-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-5-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
(7R)-6-benzyl-7-methyl-4-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-5-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 398.53 g/mol, XLogP of 2.47, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-6-benzyl-7-methyl-4-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-5-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 137366439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).