1-[6-(3,5-dimethoxyphenyl)-2-[3-(4-methylpiperazin-1-yl)propylamino]pyrido[2,3-d]pyrimidin-7-yl]-3-ethylurea

C26H36N8O3 — CID 5330166

IUPAC1-[6-(3,5-dimethoxyphenyl)-2-[3-(4-methylpiperazin-1-yl)propylamino]pyrido[2,3-d]pyrimidin-7-yl]-3-ethylurea
SMILESCCNC(=O)Nc1nc2nc(NCCCN3CCN(C)CC3)ncc2cc1-c1cc(OC)cc(OC)c1
InChIInChI=1S/C26H36N8O3/c1-5-27-26(35)32-24-22(18-13-20(36-3)16-21(14-18)37-4)15-19-17-29-25(31-23(19)30-24)28-7-6-8-34-11-9-33(2)10-12-34/h13-17H,5-12H2,1-4H3,(H3,27,28,29,30,31,32,35)
InChIKeyFQQPROZCOUSSJP-UHFFFAOYSA-N
MW508.63 g/mol
LogP2.90
Rot. Bonds10

About 1-[6-(3,5-dimethoxyphenyl)-2-[3-(4-methylpiperazin-1-yl)propylamino]pyrido[2,3-d]pyrimidin-7-yl]-3-ethylurea

1-[6-(3,5-dimethoxyphenyl)-2-[3-(4-methylpiperazin-1-yl)propylamino]pyrido[2,3-d]pyrimidin-7-yl]-3-ethylurea (PubChem CID 5330166) has the molecular formula C26H36N8O3 and a molecular weight of 508.63 g/mol. Its IUPAC name is 1-[6-(3,5-dimethoxyphenyl)-2-[3-(4-methylpiperazin-1-yl)propylamino]pyrido[2,3-d]pyrimidin-7-yl]-3-ethylurea.

Molecular Properties

Compound Name1-[6-(3,5-dimethoxyphenyl)-2-[3-(4-methylpiperazin-1-yl)propylamino]pyrido[2,3-d]pyrimidin-7-yl]-3-ethylurea
PubChem CID5330166
Molecular FormulaC26H36N8O3
Molecular Weight508.63 g/mol
Exact Mass508.29
IUPAC Name1-[6-(3,5-dimethoxyphenyl)-2-[3-(4-methylpiperazin-1-yl)propylamino]pyrido[2,3-d]pyrimidin-7-yl]-3-ethylurea
SMILESCCNC(=O)Nc1nc2nc(NCCCN3CCN(C)CC3)ncc2cc1-c1cc(OC)cc(OC)c1
InChIInChI=1S/C26H36N8O3/c1-5-27-26(35)32-24-22(18-13-20(36-3)16-21(14-18)37-4)15-19-17-29-25(31-23(19)30-24)28-7-6-8-34-11-9-33(2)10-12-34/h13-17H,5-12H2,1-4H3,(H3,27,28,29,30,31,32,35)
InChIKeyFQQPROZCOUSSJP-UHFFFAOYSA-N
XLogP2.90
TPSA116.77 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.63
LogP ≤ 52.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-[6-(3,5-dimethoxyphenyl)-2-[3-(4-methylpiperazin-1-yl)propylamino]pyrido[2,3-d]pyrimidin-7-yl]-3-ethylurea with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[6-(3,5-dimethoxyphenyl)-2-[3-(4-methylpiperazin-1-yl)propylamino]pyrido[2,3-d]pyrimidin-7-yl]-3-ethylurea?
The IUPAC name of 1-[6-(3,5-dimethoxyphenyl)-2-[3-(4-methylpiperazin-1-yl)propylamino]pyrido[2,3-d]pyrimidin-7-yl]-3-ethylurea (CID 5330166) is 1-[6-(3,5-dimethoxyphenyl)-2-[3-(4-methylpiperazin-1-yl)propylamino]pyrido[2,3-d]pyrimidin-7-yl]-3-ethylurea.
What is the SMILES notation for 1-[6-(3,5-dimethoxyphenyl)-2-[3-(4-methylpiperazin-1-yl)propylamino]pyrido[2,3-d]pyrimidin-7-yl]-3-ethylurea?
The canonical SMILES for 1-[6-(3,5-dimethoxyphenyl)-2-[3-(4-methylpiperazin-1-yl)propylamino]pyrido[2,3-d]pyrimidin-7-yl]-3-ethylurea is CCNC(=O)Nc1nc2nc(NCCCN3CCN(C)CC3)ncc2cc1-c1cc(OC)cc(OC)c1.
What is the InChIKey of 1-[6-(3,5-dimethoxyphenyl)-2-[3-(4-methylpiperazin-1-yl)propylamino]pyrido[2,3-d]pyrimidin-7-yl]-3-ethylurea?
The InChIKey is FQQPROZCOUSSJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N8O3/c1-5-27-26(35)32-24-22(18-13-20(36-3)16-21(14-18)37-4)15-19-17-29-25(31-23(19)30-24)28-7-6-8-34-11-9-33(2)10-12-34/h13-17H,5-12H2,1-4H3,(H3,27,28,29,30,31,32,35).
What are the key properties of 1-[6-(3,5-dimethoxyphenyl)-2-[3-(4-methylpiperazin-1-yl)propylamino]pyrido[2,3-d]pyrimidin-7-yl]-3-ethylurea?
1-[6-(3,5-dimethoxyphenyl)-2-[3-(4-methylpiperazin-1-yl)propylamino]pyrido[2,3-d]pyrimidin-7-yl]-3-ethylurea has a molecular weight of 508.63 g/mol, XLogP of 2.90, 10 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(3,5-dimethoxyphenyl)-2-[3-(4-methylpiperazin-1-yl)propylamino]pyrido[2,3-d]pyrimidin-7-yl]-3-ethylurea is sourced from PubChem (CID 5330166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).