N-[[4-(2-methyltriazol-4-yl)phenyl]methyl]-6-[7-[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine

C28H29N9O2 — CID 155587847

About N-[[4-(2-methyltriazol-4-yl)phenyl]methyl]-6-[7-[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine

N-[[4-(2-methyltriazol-4-yl)phenyl]methyl]-6-[7-[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine (PubChem CID 155587847) has the molecular formula C28H29N9O2 and a molecular weight of 523.60 g/mol. Its IUPAC name is N-[[4-(2-methyltriazol-4-yl)phenyl]methyl]-6-[7-[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine.

Molecular Properties

• Compound Name: N-[[4-(2-methyltriazol-4-yl)phenyl]methyl]-6-[7-[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine
• PubChem CID: 155587847
• Molecular Formula: C28H29N9O2
• Molecular Weight: 523.60 g/mol
• Exact Mass: 523.24
• IUPAC Name: N-[[4-(2-methyltriazol-4-yl)phenyl]methyl]-6-[7-[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine
• SMILES: Cn1ncc(-c2ccc(CNc3cc(-c4cnc5cc(OCCN6CC7(COC7)C6)ccn45)ncn3)cc2)n1
• InChI: InChI=1S/C28H29N9O2/c1-35-33-13-24(34-35)21-4-2-20(3-5-21)12-29-26-11-23(31-19-32-26)25-14-30-27-10-22(6-7-37(25)27)39-9-8-36-15-28(16-36)17-38-18-28/h2-7,10-11,13-14,19H,8-9,12,15-18H2,1H3,(H,29,31,32)
• InChIKey: ZZPOAGXFYUOZKR-UHFFFAOYSA-N
• XLogP: 2.91
• TPSA: 107.52 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 9
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	523.60
LogP ≤ 5	2.91
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-methyltriazol-4-yl)phenyl]methyl]-6-[7-[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine?

The IUPAC name of N-[[4-(2-methyltriazol-4-yl)phenyl]methyl]-6-[7-[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine (CID 155587847) is N-[[4-(2-methyltriazol-4-yl)phenyl]methyl]-6-[7-[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine.

What is the SMILES notation for N-[[4-(2-methyltriazol-4-yl)phenyl]methyl]-6-[7-[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine?

The canonical SMILES for N-[[4-(2-methyltriazol-4-yl)phenyl]methyl]-6-[7-[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine is Cn1ncc(-c2ccc(CNc3cc(-c4cnc5cc(OCCN6CC7(COC7)C6)ccn45)ncn3)cc2)n1.

What is the InChIKey of N-[[4-(2-methyltriazol-4-yl)phenyl]methyl]-6-[7-[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine?

The InChIKey is ZZPOAGXFYUOZKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N9O2/c1-35-33-13-24(34-35)21-4-2-20(3-5-21)12-29-26-11-23(31-19-32-26)25-14-30-27-10-22(6-7-37(25)27)39-9-8-36-15-28(16-36)17-38-18-28/h2-7,10-11,13-14,19H,8-9,12,15-18H2,1H3,(H,29,31,32).

What are the key properties of N-[[4-(2-methyltriazol-4-yl)phenyl]methyl]-6-[7-[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine?

N-[[4-(2-methyltriazol-4-yl)phenyl]methyl]-6-[7-[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine has a molecular weight of 523.60 g/mol, XLogP of 2.91, 9 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[4-(2-methyltriazol-4-yl)phenyl]methyl]-6-[7-[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine is sourced from PubChem (CID 155587847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).