4-methyl-N-[5-(1-methylcyclopropyl)-1,2-oxazol-3-yl]-5-[(6-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl)oxy]indole-1-carboxamide

C24H24N6O3 — CID 129045494

About 4-methyl-N-[5-(1-methylcyclopropyl)-1,2-oxazol-3-yl]-5-[(6-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl)oxy]indole-1-carboxamide

4-methyl-N-[5-(1-methylcyclopropyl)-1,2-oxazol-3-yl]-5-[(6-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl)oxy]indole-1-carboxamide (PubChem CID 129045494) has the molecular formula C24H24N6O3 and a molecular weight of 444.50 g/mol. Its IUPAC name is 4-methyl-N-[5-(1-methylcyclopropyl)-1,2-oxazol-3-yl]-5-[(6-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl)oxy]indole-1-carboxamide.

Molecular Properties

• Compound Name: 4-methyl-N-[5-(1-methylcyclopropyl)-1,2-oxazol-3-yl]-5-[(6-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl)oxy]indole-1-carboxamide
• PubChem CID: 129045494
• Molecular Formula: C24H24N6O3
• Molecular Weight: 444.50 g/mol
• Exact Mass: 444.19
• IUPAC Name: 4-methyl-N-[5-(1-methylcyclopropyl)-1,2-oxazol-3-yl]-5-[(6-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl)oxy]indole-1-carboxamide
• SMILES: Cc1c(Oc2ncnc3c2CN(C)C3)ccc2c1ccn2C(=O)Nc1cc(C2(C)CC2)on1
• InChI: InChI=1S/C24H24N6O3/c1-14-15-6-9-30(23(31)27-21-10-20(33-28-21)24(2)7-8-24)18(15)4-5-19(14)32-22-16-11-29(3)12-17(16)25-13-26-22/h4-6,9-10,13H,7-8,11-12H2,1-3H3,(H,27,28,31)
• InChIKey: SMXOQJFMGHXIRA-UHFFFAOYSA-N
• XLogP: 4.60
• TPSA: 98.31 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	444.50
LogP ≤ 5	4.60
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[5-(1-methylcyclopropyl)-1,2-oxazol-3-yl]-5-[(6-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl)oxy]indole-1-carboxamide?

The IUPAC name of 4-methyl-N-[5-(1-methylcyclopropyl)-1,2-oxazol-3-yl]-5-[(6-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl)oxy]indole-1-carboxamide (CID 129045494) is 4-methyl-N-[5-(1-methylcyclopropyl)-1,2-oxazol-3-yl]-5-[(6-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl)oxy]indole-1-carboxamide.

What is the SMILES notation for 4-methyl-N-[5-(1-methylcyclopropyl)-1,2-oxazol-3-yl]-5-[(6-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl)oxy]indole-1-carboxamide?

The canonical SMILES for 4-methyl-N-[5-(1-methylcyclopropyl)-1,2-oxazol-3-yl]-5-[(6-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl)oxy]indole-1-carboxamide is Cc1c(Oc2ncnc3c2CN(C)C3)ccc2c1ccn2C(=O)Nc1cc(C2(C)CC2)on1.

What is the InChIKey of 4-methyl-N-[5-(1-methylcyclopropyl)-1,2-oxazol-3-yl]-5-[(6-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl)oxy]indole-1-carboxamide?

The InChIKey is SMXOQJFMGHXIRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O3/c1-14-15-6-9-30(23(31)27-21-10-20(33-28-21)24(2)7-8-24)18(15)4-5-19(14)32-22-16-11-29(3)12-17(16)25-13-26-22/h4-6,9-10,13H,7-8,11-12H2,1-3H3,(H,27,28,31).

What are the key properties of 4-methyl-N-[5-(1-methylcyclopropyl)-1,2-oxazol-3-yl]-5-[(6-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl)oxy]indole-1-carboxamide?

4-methyl-N-[5-(1-methylcyclopropyl)-1,2-oxazol-3-yl]-5-[(6-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl)oxy]indole-1-carboxamide has a molecular weight of 444.50 g/mol, XLogP of 4.60, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methyl-N-[5-(1-methylcyclopropyl)-1,2-oxazol-3-yl]-5-[(6-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl)oxy]indole-1-carboxamide is sourced from PubChem (CID 129045494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).