N-[[6-[2-(3-cyanophenyl)acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide

C25H25N5O2 — CID 90012547

About N-[[6-[2-(3-cyanophenyl)acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide

N-[[6-[2-(3-cyanophenyl)acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide (PubChem CID 90012547) has the molecular formula C25H25N5O2 and a molecular weight of 427.51 g/mol. Its IUPAC name is N-[[6-[2-(3-cyanophenyl)acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[[6-[2-(3-cyanophenyl)acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
• PubChem CID: 90012547
• Molecular Formula: C25H25N5O2
• Molecular Weight: 427.51 g/mol
• Exact Mass: 427.20
• IUPAC Name: N-[[6-[2-(3-cyanophenyl)acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
• SMILES: N#Cc1cccc(CC(=O)N2CCC3(CC2)CC3CNC(=O)c2cc3cnccc3[nH]2)c1
• InChI: InChI=1S/C25H25N5O2/c26-14-18-3-1-2-17(10-18)11-23(31)30-8-5-25(6-9-30)13-20(25)16-28-24(32)22-12-19-15-27-7-4-21(19)29-22/h1-4,7,10,12,15,20,29H,5-6,8-9,11,13,16H2,(H,28,32)
• InChIKey: NTPQRUPLJMOQNU-UHFFFAOYSA-N
• XLogP: 3.04
• TPSA: 101.88 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	427.51
LogP ≤ 5	3.04
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[[6-[2-(3-cyanophenyl)acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide?

The IUPAC name of N-[[6-[2-(3-cyanophenyl)acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide (CID 90012547) is N-[[6-[2-(3-cyanophenyl)acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide.

What is the SMILES notation for N-[[6-[2-(3-cyanophenyl)acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide?

The canonical SMILES for N-[[6-[2-(3-cyanophenyl)acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide is N#Cc1cccc(CC(=O)N2CCC3(CC2)CC3CNC(=O)c2cc3cnccc3[nH]2)c1.

What is the InChIKey of N-[[6-[2-(3-cyanophenyl)acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide?

The InChIKey is NTPQRUPLJMOQNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O2/c26-14-18-3-1-2-17(10-18)11-23(31)30-8-5-25(6-9-30)13-20(25)16-28-24(32)22-12-19-15-27-7-4-21(19)29-22/h1-4,7,10,12,15,20,29H,5-6,8-9,11,13,16H2,(H,28,32).

What are the key properties of N-[[6-[2-(3-cyanophenyl)acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide?

N-[[6-[2-(3-cyanophenyl)acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide has a molecular weight of 427.51 g/mol, XLogP of 3.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[6-[2-(3-cyanophenyl)acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide is sourced from PubChem (CID 90012547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).