N-cyclopropyl-6-[2-[(3R)-3-(dimethylamino)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxynaphthalene-1-carboxamide

C28H28N4O3S — CID 11237366

About N-cyclopropyl-6-[2-[(3R)-3-(dimethylamino)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxynaphthalene-1-carboxamide

N-cyclopropyl-6-[2-[(3R)-3-(dimethylamino)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxynaphthalene-1-carboxamide (PubChem CID 11237366) has the molecular formula C28H28N4O3S and a molecular weight of 500.62 g/mol. Its IUPAC name is N-cyclopropyl-6-[2-[(3R)-3-(dimethylamino)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxynaphthalene-1-carboxamide.

Molecular Properties

• Compound Name: N-cyclopropyl-6-[2-[(3R)-3-(dimethylamino)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxynaphthalene-1-carboxamide
• PubChem CID: 11237366
• Molecular Formula: C28H28N4O3S
• Molecular Weight: 500.62 g/mol
• Exact Mass: 500.19
• IUPAC Name: N-cyclopropyl-6-[2-[(3R)-3-(dimethylamino)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxynaphthalene-1-carboxamide
• SMILES: CN(C)[C@@H]1CCN(C(=O)c2cc3nccc(Oc4ccc5c(C(=O)NC6CC6)cccc5c4)c3s2)C1
• InChI: InChI=1S/C28H28N4O3S/c1-31(2)19-11-13-32(16-19)28(34)25-15-23-26(36-25)24(10-12-29-23)35-20-8-9-21-17(14-20)4-3-5-22(21)27(33)30-18-6-7-18/h3-5,8-10,12,14-15,18-19H,6-7,11,13,16H2,1-2H3,(H,30,33)/t19-/m1/s1
• InChIKey: QMEQAHADMXSGGA-LJQANCHMSA-N
• XLogP: 4.91
• TPSA: 74.77 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	500.62
LogP ≤ 5	4.91
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-6-[2-[(3R)-3-(dimethylamino)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxynaphthalene-1-carboxamide?

The IUPAC name of N-cyclopropyl-6-[2-[(3R)-3-(dimethylamino)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxynaphthalene-1-carboxamide (CID 11237366) is N-cyclopropyl-6-[2-[(3R)-3-(dimethylamino)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxynaphthalene-1-carboxamide.

What is the SMILES notation for N-cyclopropyl-6-[2-[(3R)-3-(dimethylamino)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxynaphthalene-1-carboxamide?

The canonical SMILES for N-cyclopropyl-6-[2-[(3R)-3-(dimethylamino)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxynaphthalene-1-carboxamide is CN(C)[C@@H]1CCN(C(=O)c2cc3nccc(Oc4ccc5c(C(=O)NC6CC6)cccc5c4)c3s2)C1.

What is the InChIKey of N-cyclopropyl-6-[2-[(3R)-3-(dimethylamino)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxynaphthalene-1-carboxamide?

The InChIKey is QMEQAHADMXSGGA-LJQANCHMSA-N. The full InChI is InChI=1S/C28H28N4O3S/c1-31(2)19-11-13-32(16-19)28(34)25-15-23-26(36-25)24(10-12-29-23)35-20-8-9-21-17(14-20)4-3-5-22(21)27(33)30-18-6-7-18/h3-5,8-10,12,14-15,18-19H,6-7,11,13,16H2,1-2H3,(H,30,33)/t19-/m1/s1.

What are the key properties of N-cyclopropyl-6-[2-[(3R)-3-(dimethylamino)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxynaphthalene-1-carboxamide?

N-cyclopropyl-6-[2-[(3R)-3-(dimethylamino)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxynaphthalene-1-carboxamide has a molecular weight of 500.62 g/mol, XLogP of 4.91, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopropyl-6-[2-[(3R)-3-(dimethylamino)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxynaphthalene-1-carboxamide is sourced from PubChem (CID 11237366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).