4-[2-[[2-(3,5-dimethyl-2H-indazol-4-yl)-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]oxy]ethyl]morpholine

C32H40N6O2 — CID 71240491

About 4-[2-[[2-(3,5-dimethyl-2H-indazol-4-yl)-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]oxy]ethyl]morpholine

4-[2-[[2-(3,5-dimethyl-2H-indazol-4-yl)-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]oxy]ethyl]morpholine (PubChem CID 71240491) has the molecular formula C32H40N6O2 and a molecular weight of 540.71 g/mol. Its IUPAC name is 4-[2-[[2-(3,5-dimethyl-2H-indazol-4-yl)-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]oxy]ethyl]morpholine.

Molecular Properties

• Compound Name: 4-[2-[[2-(3,5-dimethyl-2H-indazol-4-yl)-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]oxy]ethyl]morpholine
• PubChem CID: 71240491
• Molecular Formula: C32H40N6O2
• Molecular Weight: 540.71 g/mol
• Exact Mass: 540.32
• IUPAC Name: 4-[2-[[2-(3,5-dimethyl-2H-indazol-4-yl)-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]oxy]ethyl]morpholine
• SMILES: Cc1ccc(C(C)C)cc1N1CCc2nc(-c3c(C)ccc4n[nH]c(C)c34)nc(OCCN3CCOCC3)c2C1
• InChI: InChI=1S/C32H40N6O2/c1-20(2)24-8-6-21(3)28(18-24)38-11-10-26-25(19-38)32(40-17-14-37-12-15-39-16-13-37)34-31(33-26)29-22(4)7-9-27-30(29)23(5)35-36-27/h6-9,18,20H,10-17,19H2,1-5H3,(H,35,36)
• InChIKey: PGHZGIGHGYKEJF-UHFFFAOYSA-N
• XLogP: 5.34
• TPSA: 79.40 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	540.71
LogP ≤ 5	5.34
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[2-(3,5-dimethyl-2H-indazol-4-yl)-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]oxy]ethyl]morpholine?

The IUPAC name of 4-[2-[[2-(3,5-dimethyl-2H-indazol-4-yl)-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]oxy]ethyl]morpholine (CID 71240491) is 4-[2-[[2-(3,5-dimethyl-2H-indazol-4-yl)-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]oxy]ethyl]morpholine.

What is the SMILES notation for 4-[2-[[2-(3,5-dimethyl-2H-indazol-4-yl)-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]oxy]ethyl]morpholine?

The canonical SMILES for 4-[2-[[2-(3,5-dimethyl-2H-indazol-4-yl)-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]oxy]ethyl]morpholine is Cc1ccc(C(C)C)cc1N1CCc2nc(-c3c(C)ccc4n[nH]c(C)c34)nc(OCCN3CCOCC3)c2C1.

What is the InChIKey of 4-[2-[[2-(3,5-dimethyl-2H-indazol-4-yl)-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]oxy]ethyl]morpholine?

The InChIKey is PGHZGIGHGYKEJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H40N6O2/c1-20(2)24-8-6-21(3)28(18-24)38-11-10-26-25(19-38)32(40-17-14-37-12-15-39-16-13-37)34-31(33-26)29-22(4)7-9-27-30(29)23(5)35-36-27/h6-9,18,20H,10-17,19H2,1-5H3,(H,35,36).

What are the key properties of 4-[2-[[2-(3,5-dimethyl-2H-indazol-4-yl)-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]oxy]ethyl]morpholine?

4-[2-[[2-(3,5-dimethyl-2H-indazol-4-yl)-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]oxy]ethyl]morpholine has a molecular weight of 540.71 g/mol, XLogP of 5.34, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-[[2-(3,5-dimethyl-2H-indazol-4-yl)-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]oxy]ethyl]morpholine is sourced from PubChem (CID 71240491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).