1-[2-(dimethylamino)ethyl]-N-[3-[[(7-pyridin-4-yl-2,3-dihydrofuro[3,2-c]pyridin-4-yl)amino]methyl]phenyl]indole-5-carboxamide

C32H32N6O2 — CID 169091496

About 1-[2-(dimethylamino)ethyl]-N-[3-[[(7-pyridin-4-yl-2,3-dihydrofuro[3,2-c]pyridin-4-yl)amino]methyl]phenyl]indole-5-carboxamide

1-[2-(dimethylamino)ethyl]-N-[3-[[(7-pyridin-4-yl-2,3-dihydrofuro[3,2-c]pyridin-4-yl)amino]methyl]phenyl]indole-5-carboxamide (PubChem CID 169091496) has the molecular formula C32H32N6O2 and a molecular weight of 532.65 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-N-[3-[[(7-pyridin-4-yl-2,3-dihydrofuro[3,2-c]pyridin-4-yl)amino]methyl]phenyl]indole-5-carboxamide.

Molecular Properties

• Compound Name: 1-[2-(dimethylamino)ethyl]-N-[3-[[(7-pyridin-4-yl-2,3-dihydrofuro[3,2-c]pyridin-4-yl)amino]methyl]phenyl]indole-5-carboxamide
• PubChem CID: 169091496
• Molecular Formula: C32H32N6O2
• Molecular Weight: 532.65 g/mol
• Exact Mass: 532.26
• IUPAC Name: 1-[2-(dimethylamino)ethyl]-N-[3-[[(7-pyridin-4-yl-2,3-dihydrofuro[3,2-c]pyridin-4-yl)amino]methyl]phenyl]indole-5-carboxamide
• SMILES: CN(C)CCn1ccc2cc(C(=O)Nc3cccc(CNc4ncc(-c5ccncc5)c5c4CCO5)c3)ccc21
• InChI: InChI=1S/C32H32N6O2/c1-37(2)15-16-38-14-10-24-19-25(6-7-29(24)38)32(39)36-26-5-3-4-22(18-26)20-34-31-27-11-17-40-30(27)28(21-35-31)23-8-12-33-13-9-23/h3-10,12-14,18-19,21H,11,15-17,20H2,1-2H3,(H,34,35)(H,36,39)
• InChIKey: QIBOLNFZFINBAD-UHFFFAOYSA-N
• XLogP: 5.46
• TPSA: 84.31 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	532.65
LogP ≤ 5	5.46
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl]-N-[3-[[(7-pyridin-4-yl-2,3-dihydrofuro[3,2-c]pyridin-4-yl)amino]methyl]phenyl]indole-5-carboxamide?

The IUPAC name of 1-[2-(dimethylamino)ethyl]-N-[3-[[(7-pyridin-4-yl-2,3-dihydrofuro[3,2-c]pyridin-4-yl)amino]methyl]phenyl]indole-5-carboxamide (CID 169091496) is 1-[2-(dimethylamino)ethyl]-N-[3-[[(7-pyridin-4-yl-2,3-dihydrofuro[3,2-c]pyridin-4-yl)amino]methyl]phenyl]indole-5-carboxamide.

What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-N-[3-[[(7-pyridin-4-yl-2,3-dihydrofuro[3,2-c]pyridin-4-yl)amino]methyl]phenyl]indole-5-carboxamide?

The canonical SMILES for 1-[2-(dimethylamino)ethyl]-N-[3-[[(7-pyridin-4-yl-2,3-dihydrofuro[3,2-c]pyridin-4-yl)amino]methyl]phenyl]indole-5-carboxamide is CN(C)CCn1ccc2cc(C(=O)Nc3cccc(CNc4ncc(-c5ccncc5)c5c4CCO5)c3)ccc21.

What is the InChIKey of 1-[2-(dimethylamino)ethyl]-N-[3-[[(7-pyridin-4-yl-2,3-dihydrofuro[3,2-c]pyridin-4-yl)amino]methyl]phenyl]indole-5-carboxamide?

The InChIKey is QIBOLNFZFINBAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32N6O2/c1-37(2)15-16-38-14-10-24-19-25(6-7-29(24)38)32(39)36-26-5-3-4-22(18-26)20-34-31-27-11-17-40-30(27)28(21-35-31)23-8-12-33-13-9-23/h3-10,12-14,18-19,21H,11,15-17,20H2,1-2H3,(H,34,35)(H,36,39).

What are the key properties of 1-[2-(dimethylamino)ethyl]-N-[3-[[(7-pyridin-4-yl-2,3-dihydrofuro[3,2-c]pyridin-4-yl)amino]methyl]phenyl]indole-5-carboxamide?

1-[2-(dimethylamino)ethyl]-N-[3-[[(7-pyridin-4-yl-2,3-dihydrofuro[3,2-c]pyridin-4-yl)amino]methyl]phenyl]indole-5-carboxamide has a molecular weight of 532.65 g/mol, XLogP of 5.46, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-(dimethylamino)ethyl]-N-[3-[[(7-pyridin-4-yl-2,3-dihydrofuro[3,2-c]pyridin-4-yl)amino]methyl]phenyl]indole-5-carboxamide is sourced from PubChem (CID 169091496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).