N-[6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]pyrimidin-4-yl]-2-[2-fluoro-3-methoxy-6-(tetrazol-1-yl)phenyl]acetamide

C25H23FN10O2 — CID 165130862

About N-[6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]pyrimidin-4-yl]-2-[2-fluoro-3-methoxy-6-(tetrazol-1-yl)phenyl]acetamide

N-[6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]pyrimidin-4-yl]-2-[2-fluoro-3-methoxy-6-(tetrazol-1-yl)phenyl]acetamide (PubChem CID 165130862) has the molecular formula C25H23FN10O2 and a molecular weight of 514.53 g/mol. Its IUPAC name is N-[6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]pyrimidin-4-yl]-2-[2-fluoro-3-methoxy-6-(tetrazol-1-yl)phenyl]acetamide.

Molecular Properties

• Compound Name: N-[6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]pyrimidin-4-yl]-2-[2-fluoro-3-methoxy-6-(tetrazol-1-yl)phenyl]acetamide
• PubChem CID: 165130862
• Molecular Formula: C25H23FN10O2
• Molecular Weight: 514.53 g/mol
• Exact Mass: 514.20
• IUPAC Name: N-[6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]pyrimidin-4-yl]-2-[2-fluoro-3-methoxy-6-(tetrazol-1-yl)phenyl]acetamide
• SMILES: COc1ccc(-n2cnnn2)c(CC(=O)Nc2cc(NCc3cn4cc(C5CC5)ccc4n3)ncn2)c1F
• InChI: InChI=1S/C25H23FN10O2/c1-38-20-6-5-19(36-14-30-33-34-36)18(25(20)26)8-24(37)32-22-9-21(28-13-29-22)27-10-17-12-35-11-16(15-2-3-15)4-7-23(35)31-17/h4-7,9,11-15H,2-3,8,10H2,1H3,(H2,27,28,29,32,37)
• InChIKey: PMXSLQZQOXUMLB-UHFFFAOYSA-N
• XLogP: 2.92
• TPSA: 137.04 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 9
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	514.53
LogP ≤ 5	2.92
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of N-[6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]pyrimidin-4-yl]-2-[2-fluoro-3-methoxy-6-(tetrazol-1-yl)phenyl]acetamide?

The IUPAC name of N-[6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]pyrimidin-4-yl]-2-[2-fluoro-3-methoxy-6-(tetrazol-1-yl)phenyl]acetamide (CID 165130862) is N-[6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]pyrimidin-4-yl]-2-[2-fluoro-3-methoxy-6-(tetrazol-1-yl)phenyl]acetamide.

What is the SMILES notation for N-[6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]pyrimidin-4-yl]-2-[2-fluoro-3-methoxy-6-(tetrazol-1-yl)phenyl]acetamide?

The canonical SMILES for N-[6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]pyrimidin-4-yl]-2-[2-fluoro-3-methoxy-6-(tetrazol-1-yl)phenyl]acetamide is COc1ccc(-n2cnnn2)c(CC(=O)Nc2cc(NCc3cn4cc(C5CC5)ccc4n3)ncn2)c1F.

What is the InChIKey of N-[6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]pyrimidin-4-yl]-2-[2-fluoro-3-methoxy-6-(tetrazol-1-yl)phenyl]acetamide?

The InChIKey is PMXSLQZQOXUMLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN10O2/c1-38-20-6-5-19(36-14-30-33-34-36)18(25(20)26)8-24(37)32-22-9-21(28-13-29-22)27-10-17-12-35-11-16(15-2-3-15)4-7-23(35)31-17/h4-7,9,11-15H,2-3,8,10H2,1H3,(H2,27,28,29,32,37).

What are the key properties of N-[6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]pyrimidin-4-yl]-2-[2-fluoro-3-methoxy-6-(tetrazol-1-yl)phenyl]acetamide?

N-[6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]pyrimidin-4-yl]-2-[2-fluoro-3-methoxy-6-(tetrazol-1-yl)phenyl]acetamide has a molecular weight of 514.53 g/mol, XLogP of 2.92, 9 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]pyrimidin-4-yl]-2-[2-fluoro-3-methoxy-6-(tetrazol-1-yl)phenyl]acetamide is sourced from PubChem (CID 165130862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).