(3-methoxyphenyl)-[2-(4-methylpiperazin-1-yl)-4-(4-methylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone

C26H36N6O2 — CID 46050638

IUPAC(3-methoxyphenyl)-[2-(4-methylpiperazin-1-yl)-4-(4-methylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
SMILESCOc1cccc(C(=O)N2CCc3nc(N4CCN(C)CC4)nc(N4CCC(C)CC4)c3C2)c1
InChIInChI=1S/C26H36N6O2/c1-19-7-10-30(11-8-19)24-22-18-32(25(33)20-5-4-6-21(17-20)34-3)12-9-23(22)27-26(28-24)31-15-13-29(2)14-16-31/h4-6,17,19H,7-16,18H2,1-3H3
InChIKeyQDRMEDWQSCGPLO-UHFFFAOYSA-N
MW464.61 g/mol
LogP2.67
Rot. Bonds4

About (3-methoxyphenyl)-[2-(4-methylpiperazin-1-yl)-4-(4-methylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone

(3-methoxyphenyl)-[2-(4-methylpiperazin-1-yl)-4-(4-methylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone (PubChem CID 46050638) has the molecular formula C26H36N6O2 and a molecular weight of 464.61 g/mol. Its IUPAC name is (3-methoxyphenyl)-[2-(4-methylpiperazin-1-yl)-4-(4-methylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone.

Molecular Properties

Compound Name(3-methoxyphenyl)-[2-(4-methylpiperazin-1-yl)-4-(4-methylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
PubChem CID46050638
Molecular FormulaC26H36N6O2
Molecular Weight464.61 g/mol
Exact Mass464.29
IUPAC Name(3-methoxyphenyl)-[2-(4-methylpiperazin-1-yl)-4-(4-methylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
SMILESCOc1cccc(C(=O)N2CCc3nc(N4CCN(C)CC4)nc(N4CCC(C)CC4)c3C2)c1
InChIInChI=1S/C26H36N6O2/c1-19-7-10-30(11-8-19)24-22-18-32(25(33)20-5-4-6-21(17-20)34-3)12-9-23(22)27-26(28-24)31-15-13-29(2)14-16-31/h4-6,17,19H,7-16,18H2,1-3H3
InChIKeyQDRMEDWQSCGPLO-UHFFFAOYSA-N
XLogP2.67
TPSA65.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.61
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Related Compounds

(3-methoxyphenyl)-[2-(4-methylpiperidin-1-yl)-4-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
CID 42855482
(3-methoxyphenyl)-[4-(4-methylpiperazin-1-yl)-2-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
CID 83283739
[2,4-bis(4-methylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(4-methoxyphenyl)methanone
CID 42855494
(2-methoxyphenyl)-[2-(4-methylpiperazin-1-yl)-4-(4-methylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
CID 42855555
(4-methoxyphenyl)-[2-methyl-4-(4-methylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
CID 7237028
(3,4-dichlorophenyl)-[4-(4-methylpiperazin-1-yl)-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
CID 42855702
[4-(3-methoxyphenoxy)-2-(4-methylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(2-methoxyphenyl)methanone
CID 46073555
(3-methoxyphenyl)-[4-[4-(4-methylpiperidin-1-yl)phenyl]piperazin-1-yl]methanone
CID 113079051
2-(4-fluorophenyl)-1-[2-(4-methylpiperazin-1-yl)-4-(4-methylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone
CID 42870736
(2-chlorophenyl)-[4-(4-methylpiperidin-1-yl)-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
CID 42855695
(3-chlorophenyl)-[2-methyl-4-(4-methylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
CID 7262567
(3-methoxyphenyl)-(4-piperidin-1-yl-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone
CID 4243699

Frequently Asked Questions

What is the IUPAC name of (3-methoxyphenyl)-[2-(4-methylpiperazin-1-yl)-4-(4-methylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone?
The IUPAC name of (3-methoxyphenyl)-[2-(4-methylpiperazin-1-yl)-4-(4-methylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone (CID 46050638) is (3-methoxyphenyl)-[2-(4-methylpiperazin-1-yl)-4-(4-methylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone.
What is the SMILES notation for (3-methoxyphenyl)-[2-(4-methylpiperazin-1-yl)-4-(4-methylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone?
The canonical SMILES for (3-methoxyphenyl)-[2-(4-methylpiperazin-1-yl)-4-(4-methylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone is COc1cccc(C(=O)N2CCc3nc(N4CCN(C)CC4)nc(N4CCC(C)CC4)c3C2)c1.
What is the InChIKey of (3-methoxyphenyl)-[2-(4-methylpiperazin-1-yl)-4-(4-methylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone?
The InChIKey is QDRMEDWQSCGPLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N6O2/c1-19-7-10-30(11-8-19)24-22-18-32(25(33)20-5-4-6-21(17-20)34-3)12-9-23(22)27-26(28-24)31-15-13-29(2)14-16-31/h4-6,17,19H,7-16,18H2,1-3H3.
What are the key properties of (3-methoxyphenyl)-[2-(4-methylpiperazin-1-yl)-4-(4-methylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone?
(3-methoxyphenyl)-[2-(4-methylpiperazin-1-yl)-4-(4-methylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone has a molecular weight of 464.61 g/mol, XLogP of 2.67, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxyphenyl)-[2-(4-methylpiperazin-1-yl)-4-(4-methylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone is sourced from PubChem (CID 46050638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).