N-cyclopropyl-6-[1-[6-(2,6-dimethylmorpholin-4-yl)-2-pyridinyl]cyclopropyl]-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide

C30H34N4O2S — CID 163513477

About N-cyclopropyl-6-[1-[6-(2,6-dimethylmorpholin-4-yl)-2-pyridinyl]cyclopropyl]-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide

N-cyclopropyl-6-[1-[6-(2,6-dimethylmorpholin-4-yl)-2-pyridinyl]cyclopropyl]-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide (PubChem CID 163513477) has the molecular formula C30H34N4O2S and a molecular weight of 514.70 g/mol. Its IUPAC name is N-cyclopropyl-6-[1-[6-(2,6-dimethylmorpholin-4-yl)-2-pyridinyl]cyclopropyl]-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide.

Molecular Properties

• Compound Name: N-cyclopropyl-6-[1-[6-(2,6-dimethylmorpholin-4-yl)-2-pyridinyl]cyclopropyl]-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide
• PubChem CID: 163513477
• Molecular Formula: C30H34N4O2S
• Molecular Weight: 514.70 g/mol
• Exact Mass: 514.24
• IUPAC Name: N-cyclopropyl-6-[1-[6-(2,6-dimethylmorpholin-4-yl)-2-pyridinyl]cyclopropyl]-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide
• SMILES: CC1CN(c2cccc(C3(N4CCc5cc(C(=O)NC6CC6)sc5-c5ccccc54)CC3)n2)CC(C)O1
• InChI: InChI=1S/C30H34N4O2S/c1-19-17-33(18-20(2)36-19)27-9-5-8-26(32-27)30(13-14-30)34-15-12-21-16-25(29(35)31-22-10-11-22)37-28(21)23-6-3-4-7-24(23)34/h3-9,16,19-20,22H,10-15,17-18H2,1-2H3,(H,31,35)
• InChIKey: DESIZOHBSXAOBZ-UHFFFAOYSA-N
• XLogP: 5.37
• TPSA: 57.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	514.70
LogP ≤ 5	5.37
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-6-[1-[6-(2,6-dimethylmorpholin-4-yl)-2-pyridinyl]cyclopropyl]-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide?

The IUPAC name of N-cyclopropyl-6-[1-[6-(2,6-dimethylmorpholin-4-yl)-2-pyridinyl]cyclopropyl]-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide (CID 163513477) is N-cyclopropyl-6-[1-[6-(2,6-dimethylmorpholin-4-yl)-2-pyridinyl]cyclopropyl]-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide.

What is the SMILES notation for N-cyclopropyl-6-[1-[6-(2,6-dimethylmorpholin-4-yl)-2-pyridinyl]cyclopropyl]-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide?

The canonical SMILES for N-cyclopropyl-6-[1-[6-(2,6-dimethylmorpholin-4-yl)-2-pyridinyl]cyclopropyl]-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide is CC1CN(c2cccc(C3(N4CCc5cc(C(=O)NC6CC6)sc5-c5ccccc54)CC3)n2)CC(C)O1.

What is the InChIKey of N-cyclopropyl-6-[1-[6-(2,6-dimethylmorpholin-4-yl)-2-pyridinyl]cyclopropyl]-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide?

The InChIKey is DESIZOHBSXAOBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N4O2S/c1-19-17-33(18-20(2)36-19)27-9-5-8-26(32-27)30(13-14-30)34-15-12-21-16-25(29(35)31-22-10-11-22)37-28(21)23-6-3-4-7-24(23)34/h3-9,16,19-20,22H,10-15,17-18H2,1-2H3,(H,31,35).

What are the key properties of N-cyclopropyl-6-[1-[6-(2,6-dimethylmorpholin-4-yl)-2-pyridinyl]cyclopropyl]-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide?

N-cyclopropyl-6-[1-[6-(2,6-dimethylmorpholin-4-yl)-2-pyridinyl]cyclopropyl]-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide has a molecular weight of 514.70 g/mol, XLogP of 5.37, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopropyl-6-[1-[6-(2,6-dimethylmorpholin-4-yl)-2-pyridinyl]cyclopropyl]-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide is sourced from PubChem (CID 163513477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).