9-(cyclopropylmethyl)-7-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)-4-fluorocarbazole-1-carboxamide

C29H31FN4O4 — CID 90383584

About 9-(cyclopropylmethyl)-7-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)-4-fluorocarbazole-1-carboxamide

9-(cyclopropylmethyl)-7-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)-4-fluorocarbazole-1-carboxamide (PubChem CID 90383584) has the molecular formula C29H31FN4O4 and a molecular weight of 518.59 g/mol. Its IUPAC name is 9-(cyclopropylmethyl)-7-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)-4-fluorocarbazole-1-carboxamide.

Molecular Properties

• Compound Name: 9-(cyclopropylmethyl)-7-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)-4-fluorocarbazole-1-carboxamide
• PubChem CID: 90383584
• Molecular Formula: C29H31FN4O4
• Molecular Weight: 518.59 g/mol
• Exact Mass: 518.23
• IUPAC Name: 9-(cyclopropylmethyl)-7-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)-4-fluorocarbazole-1-carboxamide
• SMILES: Cc1noc(C)c1-c1cc(C(N)=O)c2c(c1F)c1ccc(C(=O)N3C[C@@H](C)O[C@@H](C)C3)cc1n2CC1CC1
• InChI: InChI=1S/C29H31FN4O4/c1-14-11-33(12-15(2)37-14)29(36)19-7-8-20-23(9-19)34(13-18-5-6-18)27-22(28(31)35)10-21(26(30)25(20)27)24-16(3)32-38-17(24)4/h7-10,14-15,18H,5-6,11-13H2,1-4H3,(H2,31,35)/t14-,15+
• InChIKey: PWABNHWDCJYQDH-GASCZTMLSA-N
• XLogP: 4.96
• TPSA: 103.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	518.59
LogP ≤ 5	4.96
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 9-(cyclopropylmethyl)-7-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)-4-fluorocarbazole-1-carboxamide?

The IUPAC name of 9-(cyclopropylmethyl)-7-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)-4-fluorocarbazole-1-carboxamide (CID 90383584) is 9-(cyclopropylmethyl)-7-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)-4-fluorocarbazole-1-carboxamide.

What is the SMILES notation for 9-(cyclopropylmethyl)-7-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)-4-fluorocarbazole-1-carboxamide?

The canonical SMILES for 9-(cyclopropylmethyl)-7-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)-4-fluorocarbazole-1-carboxamide is Cc1noc(C)c1-c1cc(C(N)=O)c2c(c1F)c1ccc(C(=O)N3C[C@@H](C)O[C@@H](C)C3)cc1n2CC1CC1.

What is the InChIKey of 9-(cyclopropylmethyl)-7-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)-4-fluorocarbazole-1-carboxamide?

The InChIKey is PWABNHWDCJYQDH-GASCZTMLSA-N. The full InChI is InChI=1S/C29H31FN4O4/c1-14-11-33(12-15(2)37-14)29(36)19-7-8-20-23(9-19)34(13-18-5-6-18)27-22(28(31)35)10-21(26(30)25(20)27)24-16(3)32-38-17(24)4/h7-10,14-15,18H,5-6,11-13H2,1-4H3,(H2,31,35)/t14-,15+.

What are the key properties of 9-(cyclopropylmethyl)-7-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)-4-fluorocarbazole-1-carboxamide?

9-(cyclopropylmethyl)-7-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)-4-fluorocarbazole-1-carboxamide has a molecular weight of 518.59 g/mol, XLogP of 4.96, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(cyclopropylmethyl)-7-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)-4-fluorocarbazole-1-carboxamide is sourced from PubChem (CID 90383584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).