3-[3-[4-(2,9-diazaspiro[5.5]undecan-9-ylmethyl)phenyl]-5-phenylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;ethane

C35H41N7 — CID 171494981

About 3-[3-[4-(2,9-diazaspiro[5.5]undecan-9-ylmethyl)phenyl]-5-phenylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;ethane

3-[3-[4-(2,9-diazaspiro[5.5]undecan-9-ylmethyl)phenyl]-5-phenylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;ethane (PubChem CID 171494981) has the molecular formula C35H41N7 and a molecular weight of 559.76 g/mol. Its IUPAC name is 3-[3-[4-(2,9-diazaspiro[5.5]undecan-9-ylmethyl)phenyl]-5-phenylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;ethane.

Molecular Properties

• Compound Name: 3-[3-[4-(2,9-diazaspiro[5.5]undecan-9-ylmethyl)phenyl]-5-phenylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;ethane
• PubChem CID: 171494981
• Molecular Formula: C35H41N7
• Molecular Weight: 559.76 g/mol
• Exact Mass: 559.34
• IUPAC Name: 3-[3-[4-(2,9-diazaspiro[5.5]undecan-9-ylmethyl)phenyl]-5-phenylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;ethane
• SMILES: CC.Nc1ncccc1-c1nc2ccc(-c3ccccc3)nc2n1-c1ccc(CN2CCC3(CCCNC3)CC2)cc1
• InChI: InChI=1S/C33H35N7.C2H6/c34-30-27(8-4-19-36-30)31-38-29-14-13-28(25-6-2-1-3-7-25)37-32(29)40(31)26-11-9-24(10-12-26)22-39-20-16-33(17-21-39)15-5-18-35-23-33;1-2/h1-4,6-14,19,35H,5,15-18,20-23H2,(H2,34,36);1-2H3
• InChIKey: COTFYDHFIMWYLO-UHFFFAOYSA-N
• XLogP: 6.72
• TPSA: 84.89 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	559.76
LogP ≤ 5	6.72
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-[3-[4-(2,9-diazaspiro[5.5]undecan-9-ylmethyl)phenyl]-5-phenylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;ethane?

The IUPAC name of 3-[3-[4-(2,9-diazaspiro[5.5]undecan-9-ylmethyl)phenyl]-5-phenylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;ethane (CID 171494981) is 3-[3-[4-(2,9-diazaspiro[5.5]undecan-9-ylmethyl)phenyl]-5-phenylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;ethane.

What is the SMILES notation for 3-[3-[4-(2,9-diazaspiro[5.5]undecan-9-ylmethyl)phenyl]-5-phenylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;ethane?

The canonical SMILES for 3-[3-[4-(2,9-diazaspiro[5.5]undecan-9-ylmethyl)phenyl]-5-phenylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;ethane is CC.Nc1ncccc1-c1nc2ccc(-c3ccccc3)nc2n1-c1ccc(CN2CCC3(CCCNC3)CC2)cc1.

What is the InChIKey of 3-[3-[4-(2,9-diazaspiro[5.5]undecan-9-ylmethyl)phenyl]-5-phenylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;ethane?

The InChIKey is COTFYDHFIMWYLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H35N7.C2H6/c34-30-27(8-4-19-36-30)31-38-29-14-13-28(25-6-2-1-3-7-25)37-32(29)40(31)26-11-9-24(10-12-26)22-39-20-16-33(17-21-39)15-5-18-35-23-33;1-2/h1-4,6-14,19,35H,5,15-18,20-23H2,(H2,34,36);1-2H3.

What are the key properties of 3-[3-[4-(2,9-diazaspiro[5.5]undecan-9-ylmethyl)phenyl]-5-phenylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;ethane?

3-[3-[4-(2,9-diazaspiro[5.5]undecan-9-ylmethyl)phenyl]-5-phenylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;ethane has a molecular weight of 559.76 g/mol, XLogP of 6.72, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-[4-(2,9-diazaspiro[5.5]undecan-9-ylmethyl)phenyl]-5-phenylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;ethane is sourced from PubChem (CID 171494981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).