4-(2,3-dihydro-1H-inden-5-ylmethoxy)-2-[[4-(2,3-dihydro-1H-inden-5-ylmethoxy)pyrido[2,3-d]pyrimidin-7-yl]methoxy]pyrido[2,3-d]pyrimidine

C35H30N6O3 — CID 67698438

About 4-(2,3-dihydro-1H-inden-5-ylmethoxy)-2-[[4-(2,3-dihydro-1H-inden-5-ylmethoxy)pyrido[2,3-d]pyrimidin-7-yl]methoxy]pyrido[2,3-d]pyrimidine

4-(2,3-dihydro-1H-inden-5-ylmethoxy)-2-[[4-(2,3-dihydro-1H-inden-5-ylmethoxy)pyrido[2,3-d]pyrimidin-7-yl]methoxy]pyrido[2,3-d]pyrimidine (PubChem CID 67698438) has the molecular formula C35H30N6O3 and a molecular weight of 582.66 g/mol. Its IUPAC name is 4-(2,3-dihydro-1H-inden-5-ylmethoxy)-2-[[4-(2,3-dihydro-1H-inden-5-ylmethoxy)pyrido[2,3-d]pyrimidin-7-yl]methoxy]pyrido[2,3-d]pyrimidine.

Molecular Properties

• Compound Name: 4-(2,3-dihydro-1H-inden-5-ylmethoxy)-2-[[4-(2,3-dihydro-1H-inden-5-ylmethoxy)pyrido[2,3-d]pyrimidin-7-yl]methoxy]pyrido[2,3-d]pyrimidine
• PubChem CID: 67698438
• Molecular Formula: C35H30N6O3
• Molecular Weight: 582.66 g/mol
• Exact Mass: 582.24
• IUPAC Name: 4-(2,3-dihydro-1H-inden-5-ylmethoxy)-2-[[4-(2,3-dihydro-1H-inden-5-ylmethoxy)pyrido[2,3-d]pyrimidin-7-yl]methoxy]pyrido[2,3-d]pyrimidine
• SMILES: c1cnc2nc(OCc3ccc4c(OCc5ccc6c(c5)CCC6)ncnc4n3)nc(OCc3ccc4c(c3)CCC4)c2c1
• InChI: InChI=1S/C35H30N6O3/c1-4-24-11-9-22(16-26(24)6-1)18-42-33-30-14-13-28(39-32(30)37-21-38-33)20-44-35-40-31-29(8-3-15-36-31)34(41-35)43-19-23-10-12-25-5-2-7-27(25)17-23/h3,8-17,21H,1-2,4-7,18-20H2
• InChIKey: YZTPPNBQTQJDRF-UHFFFAOYSA-N
• XLogP: 6.08
• TPSA: 105.03 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	582.66
LogP ≤ 5	6.08
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1H-inden-5-ylmethoxy)-2-[[4-(2,3-dihydro-1H-inden-5-ylmethoxy)pyrido[2,3-d]pyrimidin-7-yl]methoxy]pyrido[2,3-d]pyrimidine?

The IUPAC name of 4-(2,3-dihydro-1H-inden-5-ylmethoxy)-2-[[4-(2,3-dihydro-1H-inden-5-ylmethoxy)pyrido[2,3-d]pyrimidin-7-yl]methoxy]pyrido[2,3-d]pyrimidine (CID 67698438) is 4-(2,3-dihydro-1H-inden-5-ylmethoxy)-2-[[4-(2,3-dihydro-1H-inden-5-ylmethoxy)pyrido[2,3-d]pyrimidin-7-yl]methoxy]pyrido[2,3-d]pyrimidine.

What is the SMILES notation for 4-(2,3-dihydro-1H-inden-5-ylmethoxy)-2-[[4-(2,3-dihydro-1H-inden-5-ylmethoxy)pyrido[2,3-d]pyrimidin-7-yl]methoxy]pyrido[2,3-d]pyrimidine?

The canonical SMILES for 4-(2,3-dihydro-1H-inden-5-ylmethoxy)-2-[[4-(2,3-dihydro-1H-inden-5-ylmethoxy)pyrido[2,3-d]pyrimidin-7-yl]methoxy]pyrido[2,3-d]pyrimidine is c1cnc2nc(OCc3ccc4c(OCc5ccc6c(c5)CCC6)ncnc4n3)nc(OCc3ccc4c(c3)CCC4)c2c1.

What is the InChIKey of 4-(2,3-dihydro-1H-inden-5-ylmethoxy)-2-[[4-(2,3-dihydro-1H-inden-5-ylmethoxy)pyrido[2,3-d]pyrimidin-7-yl]methoxy]pyrido[2,3-d]pyrimidine?

The InChIKey is YZTPPNBQTQJDRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H30N6O3/c1-4-24-11-9-22(16-26(24)6-1)18-42-33-30-14-13-28(39-32(30)37-21-38-33)20-44-35-40-31-29(8-3-15-36-31)34(41-35)43-19-23-10-12-25-5-2-7-27(25)17-23/h3,8-17,21H,1-2,4-7,18-20H2.

What are the key properties of 4-(2,3-dihydro-1H-inden-5-ylmethoxy)-2-[[4-(2,3-dihydro-1H-inden-5-ylmethoxy)pyrido[2,3-d]pyrimidin-7-yl]methoxy]pyrido[2,3-d]pyrimidine?

4-(2,3-dihydro-1H-inden-5-ylmethoxy)-2-[[4-(2,3-dihydro-1H-inden-5-ylmethoxy)pyrido[2,3-d]pyrimidin-7-yl]methoxy]pyrido[2,3-d]pyrimidine has a molecular weight of 582.66 g/mol, XLogP of 6.08, 9 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(2,3-dihydro-1H-inden-5-ylmethoxy)-2-[[4-(2,3-dihydro-1H-inden-5-ylmethoxy)pyrido[2,3-d]pyrimidin-7-yl]methoxy]pyrido[2,3-d]pyrimidine is sourced from PubChem (CID 67698438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).