2-(6-chloroindol-1-yl)-N-[4-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]-2-pyridinyl]acetamide;ethane

C28H29ClN6O — CID 165131350

About 2-(6-chloroindol-1-yl)-N-[4-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]-2-pyridinyl]acetamide;ethane

2-(6-chloroindol-1-yl)-N-[4-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]-2-pyridinyl]acetamide;ethane (PubChem CID 165131350) has the molecular formula C28H29ClN6O and a molecular weight of 501.03 g/mol. Its IUPAC name is 2-(6-chloroindol-1-yl)-N-[4-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]-2-pyridinyl]acetamide;ethane.

Molecular Properties

• Compound Name: 2-(6-chloroindol-1-yl)-N-[4-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]-2-pyridinyl]acetamide;ethane
• PubChem CID: 165131350
• Molecular Formula: C28H29ClN6O
• Molecular Weight: 501.03 g/mol
• Exact Mass: 500.21
• IUPAC Name: 2-(6-chloroindol-1-yl)-N-[4-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]-2-pyridinyl]acetamide;ethane
• SMILES: CC.O=C(Cn1ccc2ccc(Cl)cc21)Nc1cc(NCc2cn3cc(C4CC4)ccc3n2)ccn1
• InChI: InChI=1S/C26H23ClN6O.C2H6/c27-20-5-3-18-8-10-32(23(18)11-20)16-26(34)31-24-12-21(7-9-28-24)29-13-22-15-33-14-19(17-1-2-17)4-6-25(33)30-22;1-2/h3-12,14-15,17H,1-2,13,16H2,(H2,28,29,31,34);1-2H3
• InChIKey: URVGVWFUFMKZDL-UHFFFAOYSA-N
• XLogP: 6.49
• TPSA: 76.25 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	501.03
LogP ≤ 5	6.49
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloroindol-1-yl)-N-[4-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]-2-pyridinyl]acetamide;ethane?

The IUPAC name of 2-(6-chloroindol-1-yl)-N-[4-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]-2-pyridinyl]acetamide;ethane (CID 165131350) is 2-(6-chloroindol-1-yl)-N-[4-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]-2-pyridinyl]acetamide;ethane.

What is the SMILES notation for 2-(6-chloroindol-1-yl)-N-[4-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]-2-pyridinyl]acetamide;ethane?

The canonical SMILES for 2-(6-chloroindol-1-yl)-N-[4-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]-2-pyridinyl]acetamide;ethane is CC.O=C(Cn1ccc2ccc(Cl)cc21)Nc1cc(NCc2cn3cc(C4CC4)ccc3n2)ccn1.

What is the InChIKey of 2-(6-chloroindol-1-yl)-N-[4-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]-2-pyridinyl]acetamide;ethane?

The InChIKey is URVGVWFUFMKZDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23ClN6O.C2H6/c27-20-5-3-18-8-10-32(23(18)11-20)16-26(34)31-24-12-21(7-9-28-24)29-13-22-15-33-14-19(17-1-2-17)4-6-25(33)30-22;1-2/h3-12,14-15,17H,1-2,13,16H2,(H2,28,29,31,34);1-2H3.

What are the key properties of 2-(6-chloroindol-1-yl)-N-[4-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]-2-pyridinyl]acetamide;ethane?

2-(6-chloroindol-1-yl)-N-[4-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]-2-pyridinyl]acetamide;ethane has a molecular weight of 501.03 g/mol, XLogP of 6.49, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(6-chloroindol-1-yl)-N-[4-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]-2-pyridinyl]acetamide;ethane is sourced from PubChem (CID 165131350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).