6-benzyl-2-chloro-4-[(4R)-4-methoxy-2-methylidenepiperidin-1-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

C21H25ClN4O — CID 163678251

IUPAC6-benzyl-2-chloro-4-[(4R)-4-methoxy-2-methylidenepiperidin-1-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESC=C1C[C@H](OC)CCN1c1nc(Cl)nc2c1CN(Cc1ccccc1)CC2
InChIInChI=1S/C21H25ClN4O/c1-15-12-17(27-2)8-11-26(15)20-18-14-25(13-16-6-4-3-5-7-16)10-9-19(18)23-21(22)24-20/h3-7,17H,1,8-14H2,2H3/t17-/m1/s1
InChIKeyJIOKHDWGQRHNIM-QGZVFWFLSA-N
MW384.91 g/mol
LogP3.82
Rot. Bonds4

About 6-benzyl-2-chloro-4-[(4R)-4-methoxy-2-methylidenepiperidin-1-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

6-benzyl-2-chloro-4-[(4R)-4-methoxy-2-methylidenepiperidin-1-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 163678251) has the molecular formula C21H25ClN4O and a molecular weight of 384.91 g/mol. Its IUPAC name is 6-benzyl-2-chloro-4-[(4R)-4-methoxy-2-methylidenepiperidin-1-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name6-benzyl-2-chloro-4-[(4R)-4-methoxy-2-methylidenepiperidin-1-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID163678251
Molecular FormulaC21H25ClN4O
Molecular Weight384.91 g/mol
Exact Mass384.17
IUPAC Name6-benzyl-2-chloro-4-[(4R)-4-methoxy-2-methylidenepiperidin-1-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESC=C1C[C@H](OC)CCN1c1nc(Cl)nc2c1CN(Cc1ccccc1)CC2
InChIInChI=1S/C21H25ClN4O/c1-15-12-17(27-2)8-11-26(15)20-18-14-25(13-16-6-4-3-5-7-16)10-9-19(18)23-21(22)24-20/h3-7,17H,1,8-14H2,2H3/t17-/m1/s1
InChIKeyJIOKHDWGQRHNIM-QGZVFWFLSA-N
XLogP3.82
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.91
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-benzyl-2-chloro-4-[(4R)-4-methoxy-2-methylidenepiperidin-1-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-2-chloro-N,N-dimethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
CID 42870418
6-benzyl-2-(2,6-dimethylphenyl)-4-[(2R,4R)-4-methoxy-2-methylpiperidin-1-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 71238853
[(2S)-1-(7-benzyl-2-chloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]methanol
CID 137363251
(3R)-1-benzyl-3-methoxypyrrolidine
CID 157327886
4-(7-benzyl-2-chloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)-2-methoxycarbonylpiperazine-1-carboxylic acid
CID 155124592
6-benzyl-4-chloro-2-(chloromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 81217160
(3R)-1-(6-benzyl-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)piperidin-3-ol
CID 92565044
2-benzyl-10-chloro-8-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine
CID 121370928
1-(6-benzyl-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)piperidine-4-carboxylic acid
CID 136925266
6-benzyl-4-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 59447643
6-benzyl-N,N-dimethyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
CID 46952503
6-benzyl-2-(4-chlorophenyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 137091053

Frequently Asked Questions

What is the IUPAC name of 6-benzyl-2-chloro-4-[(4R)-4-methoxy-2-methylidenepiperidin-1-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 6-benzyl-2-chloro-4-[(4R)-4-methoxy-2-methylidenepiperidin-1-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 163678251) is 6-benzyl-2-chloro-4-[(4R)-4-methoxy-2-methylidenepiperidin-1-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 6-benzyl-2-chloro-4-[(4R)-4-methoxy-2-methylidenepiperidin-1-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 6-benzyl-2-chloro-4-[(4R)-4-methoxy-2-methylidenepiperidin-1-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is C=C1C[C@H](OC)CCN1c1nc(Cl)nc2c1CN(Cc1ccccc1)CC2.
What is the InChIKey of 6-benzyl-2-chloro-4-[(4R)-4-methoxy-2-methylidenepiperidin-1-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is JIOKHDWGQRHNIM-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H25ClN4O/c1-15-12-17(27-2)8-11-26(15)20-18-14-25(13-16-6-4-3-5-7-16)10-9-19(18)23-21(22)24-20/h3-7,17H,1,8-14H2,2H3/t17-/m1/s1.
What are the key properties of 6-benzyl-2-chloro-4-[(4R)-4-methoxy-2-methylidenepiperidin-1-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
6-benzyl-2-chloro-4-[(4R)-4-methoxy-2-methylidenepiperidin-1-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 384.91 g/mol, XLogP of 3.82, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-2-chloro-4-[(4R)-4-methoxy-2-methylidenepiperidin-1-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 163678251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).