6-[(3-methoxyphenyl)methyl]-4-(4-methylpiperazin-1-yl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

C26H31N5O — CID 3372797

IUPAC6-[(3-methoxyphenyl)methyl]-4-(4-methylpiperazin-1-yl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCOc1cccc(CN2CCc3nc(-c4ccccc4)nc(N4CCN(C)CC4)c3C2)c1
InChIInChI=1S/C26H31N5O/c1-29-13-15-31(16-14-29)26-23-19-30(18-20-7-6-10-22(17-20)32-2)12-11-24(23)27-25(28-26)21-8-4-3-5-9-21/h3-10,17H,11-16,18-19H2,1-2H3
InChIKeyWBNROKLRJDCPEV-UHFFFAOYSA-N
MW429.57 g/mol
LogP3.46
Rot. Bonds5

About 6-[(3-methoxyphenyl)methyl]-4-(4-methylpiperazin-1-yl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

6-[(3-methoxyphenyl)methyl]-4-(4-methylpiperazin-1-yl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 3372797) has the molecular formula C26H31N5O and a molecular weight of 429.57 g/mol. Its IUPAC name is 6-[(3-methoxyphenyl)methyl]-4-(4-methylpiperazin-1-yl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name6-[(3-methoxyphenyl)methyl]-4-(4-methylpiperazin-1-yl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID3372797
Molecular FormulaC26H31N5O
Molecular Weight429.57 g/mol
Exact Mass429.25
IUPAC Name6-[(3-methoxyphenyl)methyl]-4-(4-methylpiperazin-1-yl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCOc1cccc(CN2CCc3nc(-c4ccccc4)nc(N4CCN(C)CC4)c3C2)c1
InChIInChI=1S/C26H31N5O/c1-29-13-15-31(16-14-29)26-23-19-30(18-20-7-6-10-22(17-20)32-2)12-11-24(23)27-25(28-26)21-8-4-3-5-9-21/h3-10,17H,11-16,18-19H2,1-2H3
InChIKeyWBNROKLRJDCPEV-UHFFFAOYSA-N
XLogP3.46
TPSA44.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.57
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-[(3-methoxyphenyl)methyl]-4-(4-methylpiperazin-1-yl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine with MolForge

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Related Compounds

4-(azepan-1-yl)-6-[(3-methoxyphenyl)methyl]-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 5260975
3-[[4-(azepan-1-yl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]benzonitrile
CID 5217862
6-(3-methoxyphenyl)sulfonyl-2-phenyl-4-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 4647615
6-benzyl-N-[3-(4-methylpiperazin-1-yl)propyl]-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
CID 127040945
2-amino-6-benzyl-4-(3-methoxyphenyl)-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile
CID 19256869
5-[(3-methoxyphenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride
CID 3041284
2-[(3-methoxyphenyl)methyl]-3,4-dihydro-1H-pyrido[4,3-b][1,6]naphthyridine
CID 24731661
4-(4-methylpiperazin-1-yl)-6-prop-2-enyl-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 5261044
N-ethyl-4-(4-methylpiperazin-1-yl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 3969184
4-(azepan-1-yl)-N-(3-methoxyphenyl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 4026439
7-[(4-methoxyphenyl)methyl]-2-phenyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 24930303
4-(azepan-1-yl)-6-(cyclohexylmethyl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 3286791

Frequently Asked Questions

What is the IUPAC name of 6-[(3-methoxyphenyl)methyl]-4-(4-methylpiperazin-1-yl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 6-[(3-methoxyphenyl)methyl]-4-(4-methylpiperazin-1-yl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 3372797) is 6-[(3-methoxyphenyl)methyl]-4-(4-methylpiperazin-1-yl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 6-[(3-methoxyphenyl)methyl]-4-(4-methylpiperazin-1-yl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 6-[(3-methoxyphenyl)methyl]-4-(4-methylpiperazin-1-yl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is COc1cccc(CN2CCc3nc(-c4ccccc4)nc(N4CCN(C)CC4)c3C2)c1.
What is the InChIKey of 6-[(3-methoxyphenyl)methyl]-4-(4-methylpiperazin-1-yl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is WBNROKLRJDCPEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N5O/c1-29-13-15-31(16-14-29)26-23-19-30(18-20-7-6-10-22(17-20)32-2)12-11-24(23)27-25(28-26)21-8-4-3-5-9-21/h3-10,17H,11-16,18-19H2,1-2H3.
What are the key properties of 6-[(3-methoxyphenyl)methyl]-4-(4-methylpiperazin-1-yl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
6-[(3-methoxyphenyl)methyl]-4-(4-methylpiperazin-1-yl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 429.57 g/mol, XLogP of 3.46, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-methoxyphenyl)methyl]-4-(4-methylpiperazin-1-yl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 3372797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).