1-[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]-N,N-dimethylazetidin-3-amine

C31H39N7 — CID 71240471

About 1-[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]-N,N-dimethylazetidin-3-amine

1-[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]-N,N-dimethylazetidin-3-amine (PubChem CID 71240471) has the molecular formula C31H39N7 and a molecular weight of 509.70 g/mol. Its IUPAC name is 1-[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]-N,N-dimethylazetidin-3-amine.

Molecular Properties

• Compound Name: 1-[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]-N,N-dimethylazetidin-3-amine
• PubChem CID: 71240471
• Molecular Formula: C31H39N7
• Molecular Weight: 509.70 g/mol
• Exact Mass: 509.33
• IUPAC Name: 1-[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]-N,N-dimethylazetidin-3-amine
• SMILES: Cc1ccc(C(C)C)cc1N1CCc2nc(-c3c(C)ccc4n[nH]c(C)c34)nc(N3CC(N(C)C)C3)c2C1
• InChI: InChI=1S/C31H39N7/c1-18(2)22-10-8-19(3)27(14-22)37-13-12-25-24(17-37)31(38-15-23(16-38)36(6)7)33-30(32-25)28-20(4)9-11-26-29(28)21(5)34-35-26/h8-11,14,18,23H,12-13,15-17H2,1-7H3,(H,34,35)
• InChIKey: KDDXJHWMRSDOEE-UHFFFAOYSA-N
• XLogP: 5.38
• TPSA: 64.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	509.70
LogP ≤ 5	5.38
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[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]-N,N-dimethylazetidin-3-amine?

The IUPAC name of 1-[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]-N,N-dimethylazetidin-3-amine (CID 71240471) is 1-[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]-N,N-dimethylazetidin-3-amine.

What is the SMILES notation for 1-[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]-N,N-dimethylazetidin-3-amine?

The canonical SMILES for 1-[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]-N,N-dimethylazetidin-3-amine is Cc1ccc(C(C)C)cc1N1CCc2nc(-c3c(C)ccc4n[nH]c(C)c34)nc(N3CC(N(C)C)C3)c2C1.

What is the InChIKey of 1-[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]-N,N-dimethylazetidin-3-amine?

The InChIKey is KDDXJHWMRSDOEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H39N7/c1-18(2)22-10-8-19(3)27(14-22)37-13-12-25-24(17-37)31(38-15-23(16-38)36(6)7)33-30(32-25)28-20(4)9-11-26-29(28)21(5)34-35-26/h8-11,14,18,23H,12-13,15-17H2,1-7H3,(H,34,35).

What are the key properties of 1-[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]-N,N-dimethylazetidin-3-amine?

1-[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]-N,N-dimethylazetidin-3-amine has a molecular weight of 509.70 g/mol, XLogP of 5.38, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[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]-N,N-dimethylazetidin-3-amine is sourced from PubChem (CID 71240471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).