7-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1-ethyl-3-propan-2-ylpyrazol-5-yl)-6-methoxy-2-methyl-2,9-dihydro-1H-pyrimido[4,5-b]indol-4-amine

C25H31N7O2 — CID 118348574

About 7-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1-ethyl-3-propan-2-ylpyrazol-5-yl)-6-methoxy-2-methyl-2,9-dihydro-1H-pyrimido[4,5-b]indol-4-amine

7-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1-ethyl-3-propan-2-ylpyrazol-5-yl)-6-methoxy-2-methyl-2,9-dihydro-1H-pyrimido[4,5-b]indol-4-amine (PubChem CID 118348574) has the molecular formula C25H31N7O2 and a molecular weight of 461.57 g/mol. Its IUPAC name is 7-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1-ethyl-3-propan-2-ylpyrazol-5-yl)-6-methoxy-2-methyl-2,9-dihydro-1H-pyrimido[4,5-b]indol-4-amine.

Molecular Properties

• Compound Name: 7-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1-ethyl-3-propan-2-ylpyrazol-5-yl)-6-methoxy-2-methyl-2,9-dihydro-1H-pyrimido[4,5-b]indol-4-amine
• PubChem CID: 118348574
• Molecular Formula: C25H31N7O2
• Molecular Weight: 461.57 g/mol
• Exact Mass: 461.25
• IUPAC Name: 7-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1-ethyl-3-propan-2-ylpyrazol-5-yl)-6-methoxy-2-methyl-2,9-dihydro-1H-pyrimido[4,5-b]indol-4-amine
• SMILES: CCn1nc(C(C)C)cc1NC1=NC(C)Nc2[nH]c3cc(-c4c(C)noc4C)c(OC)cc3c21
• InChI: InChI=1S/C25H31N7O2/c1-8-32-21(11-18(30-32)12(2)3)29-25-23-16-10-20(33-7)17(22-13(4)31-34-14(22)5)9-19(16)28-24(23)26-15(6)27-25/h9-12,15,26,28H,8H2,1-7H3,(H,27,29)
• InChIKey: FZUVZJDJTVGSIK-UHFFFAOYSA-N
• XLogP: 5.42
• TPSA: 105.29 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	461.57
LogP ≤ 5	5.42
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 7-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1-ethyl-3-propan-2-ylpyrazol-5-yl)-6-methoxy-2-methyl-2,9-dihydro-1H-pyrimido[4,5-b]indol-4-amine?

The IUPAC name of 7-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1-ethyl-3-propan-2-ylpyrazol-5-yl)-6-methoxy-2-methyl-2,9-dihydro-1H-pyrimido[4,5-b]indol-4-amine (CID 118348574) is 7-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1-ethyl-3-propan-2-ylpyrazol-5-yl)-6-methoxy-2-methyl-2,9-dihydro-1H-pyrimido[4,5-b]indol-4-amine.

What is the SMILES notation for 7-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1-ethyl-3-propan-2-ylpyrazol-5-yl)-6-methoxy-2-methyl-2,9-dihydro-1H-pyrimido[4,5-b]indol-4-amine?

The canonical SMILES for 7-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1-ethyl-3-propan-2-ylpyrazol-5-yl)-6-methoxy-2-methyl-2,9-dihydro-1H-pyrimido[4,5-b]indol-4-amine is CCn1nc(C(C)C)cc1NC1=NC(C)Nc2[nH]c3cc(-c4c(C)noc4C)c(OC)cc3c21.

What is the InChIKey of 7-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1-ethyl-3-propan-2-ylpyrazol-5-yl)-6-methoxy-2-methyl-2,9-dihydro-1H-pyrimido[4,5-b]indol-4-amine?

The InChIKey is FZUVZJDJTVGSIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N7O2/c1-8-32-21(11-18(30-32)12(2)3)29-25-23-16-10-20(33-7)17(22-13(4)31-34-14(22)5)9-19(16)28-24(23)26-15(6)27-25/h9-12,15,26,28H,8H2,1-7H3,(H,27,29).

What are the key properties of 7-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1-ethyl-3-propan-2-ylpyrazol-5-yl)-6-methoxy-2-methyl-2,9-dihydro-1H-pyrimido[4,5-b]indol-4-amine?

7-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1-ethyl-3-propan-2-ylpyrazol-5-yl)-6-methoxy-2-methyl-2,9-dihydro-1H-pyrimido[4,5-b]indol-4-amine has a molecular weight of 461.57 g/mol, XLogP of 5.42, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1-ethyl-3-propan-2-ylpyrazol-5-yl)-6-methoxy-2-methyl-2,9-dihydro-1H-pyrimido[4,5-b]indol-4-amine is sourced from PubChem (CID 118348574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).