N-[[7-[[[2-(3,3-difluorocyclobutyl)acetyl]amino]methyl]imidazo[1,2-a]pyrimidin-2-yl]methyl]-2-(2,2,2-trifluoroethyl)pyridine-4-carboxamide

C22H21F5N6O2 — CID 166822971

About N-[[7-[[[2-(3,3-difluorocyclobutyl)acetyl]amino]methyl]imidazo[1,2-a]pyrimidin-2-yl]methyl]-2-(2,2,2-trifluoroethyl)pyridine-4-carboxamide

N-[[7-[[[2-(3,3-difluorocyclobutyl)acetyl]amino]methyl]imidazo[1,2-a]pyrimidin-2-yl]methyl]-2-(2,2,2-trifluoroethyl)pyridine-4-carboxamide (PubChem CID 166822971) has the molecular formula C22H21F5N6O2 and a molecular weight of 496.44 g/mol. Its IUPAC name is N-[[7-[[[2-(3,3-difluorocyclobutyl)acetyl]amino]methyl]imidazo[1,2-a]pyrimidin-2-yl]methyl]-2-(2,2,2-trifluoroethyl)pyridine-4-carboxamide.

Molecular Properties

• Compound Name: N-[[7-[[[2-(3,3-difluorocyclobutyl)acetyl]amino]methyl]imidazo[1,2-a]pyrimidin-2-yl]methyl]-2-(2,2,2-trifluoroethyl)pyridine-4-carboxamide
• PubChem CID: 166822971
• Molecular Formula: C22H21F5N6O2
• Molecular Weight: 496.44 g/mol
• Exact Mass: 496.16
• IUPAC Name: N-[[7-[[[2-(3,3-difluorocyclobutyl)acetyl]amino]methyl]imidazo[1,2-a]pyrimidin-2-yl]methyl]-2-(2,2,2-trifluoroethyl)pyridine-4-carboxamide
• SMILES: O=C(CC1CC(F)(F)C1)NCc1ccn2cc(CNC(=O)c3ccnc(CC(F)(F)F)c3)nc2n1
• InChI: InChI=1S/C22H21F5N6O2/c23-21(24)7-13(8-21)5-18(34)29-10-15-2-4-33-12-17(32-20(33)31-15)11-30-19(35)14-1-3-28-16(6-14)9-22(25,26)27/h1-4,6,12-13H,5,7-11H2,(H,29,34)(H,30,35)
• InChIKey: CANMKMAKSVKTGB-UHFFFAOYSA-N
• XLogP: 3.21
• TPSA: 101.28 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	496.44
LogP ≤ 5	3.21
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[[7-[[[2-(3,3-difluorocyclobutyl)acetyl]amino]methyl]imidazo[1,2-a]pyrimidin-2-yl]methyl]-2-(2,2,2-trifluoroethyl)pyridine-4-carboxamide?

The IUPAC name of N-[[7-[[[2-(3,3-difluorocyclobutyl)acetyl]amino]methyl]imidazo[1,2-a]pyrimidin-2-yl]methyl]-2-(2,2,2-trifluoroethyl)pyridine-4-carboxamide (CID 166822971) is N-[[7-[[[2-(3,3-difluorocyclobutyl)acetyl]amino]methyl]imidazo[1,2-a]pyrimidin-2-yl]methyl]-2-(2,2,2-trifluoroethyl)pyridine-4-carboxamide.

What is the SMILES notation for N-[[7-[[[2-(3,3-difluorocyclobutyl)acetyl]amino]methyl]imidazo[1,2-a]pyrimidin-2-yl]methyl]-2-(2,2,2-trifluoroethyl)pyridine-4-carboxamide?

The canonical SMILES for N-[[7-[[[2-(3,3-difluorocyclobutyl)acetyl]amino]methyl]imidazo[1,2-a]pyrimidin-2-yl]methyl]-2-(2,2,2-trifluoroethyl)pyridine-4-carboxamide is O=C(CC1CC(F)(F)C1)NCc1ccn2cc(CNC(=O)c3ccnc(CC(F)(F)F)c3)nc2n1.

What is the InChIKey of N-[[7-[[[2-(3,3-difluorocyclobutyl)acetyl]amino]methyl]imidazo[1,2-a]pyrimidin-2-yl]methyl]-2-(2,2,2-trifluoroethyl)pyridine-4-carboxamide?

The InChIKey is CANMKMAKSVKTGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F5N6O2/c23-21(24)7-13(8-21)5-18(34)29-10-15-2-4-33-12-17(32-20(33)31-15)11-30-19(35)14-1-3-28-16(6-14)9-22(25,26)27/h1-4,6,12-13H,5,7-11H2,(H,29,34)(H,30,35).

What are the key properties of N-[[7-[[[2-(3,3-difluorocyclobutyl)acetyl]amino]methyl]imidazo[1,2-a]pyrimidin-2-yl]methyl]-2-(2,2,2-trifluoroethyl)pyridine-4-carboxamide?

N-[[7-[[[2-(3,3-difluorocyclobutyl)acetyl]amino]methyl]imidazo[1,2-a]pyrimidin-2-yl]methyl]-2-(2,2,2-trifluoroethyl)pyridine-4-carboxamide has a molecular weight of 496.44 g/mol, XLogP of 3.21, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[7-[[[2-(3,3-difluorocyclobutyl)acetyl]amino]methyl]imidazo[1,2-a]pyrimidin-2-yl]methyl]-2-(2,2,2-trifluoroethyl)pyridine-4-carboxamide is sourced from PubChem (CID 166822971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).