N-[6-[(8-chloro-1',1'-difluoro-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,3'-cyclobutane]-6-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide

C18H15ClF2N6O3 — CID 118598637

About N-[6-[(8-chloro-1',1'-difluoro-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,3'-cyclobutane]-6-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide

N-[6-[(8-chloro-1',1'-difluoro-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,3'-cyclobutane]-6-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide (PubChem CID 118598637) has the molecular formula C18H15ClF2N6O3 and a molecular weight of 436.81 g/mol. Its IUPAC name is N-[6-[(8-chloro-1',1'-difluoro-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,3'-cyclobutane]-6-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide.

Molecular Properties

• Compound Name: N-[6-[(8-chloro-1',1'-difluoro-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,3'-cyclobutane]-6-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide
• PubChem CID: 118598637
• Molecular Formula: C18H15ClF2N6O3
• Molecular Weight: 436.81 g/mol
• Exact Mass: 436.09
• IUPAC Name: N-[6-[(8-chloro-1',1'-difluoro-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,3'-cyclobutane]-6-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide
• SMILES: O=C1NC2(CC(F)(F)C2)n2c1c(Cl)cc(Nc1cc(NC(=O)C3CC3)ncn1)c2=O
• InChI: InChI=1S/C18H15ClF2N6O3/c19-9-3-10(24-11-4-12(23-7-22-11)25-14(28)8-1-2-8)16(30)27-13(9)15(29)26-18(27)5-17(20,21)6-18/h3-4,7-8H,1-2,5-6H2,(H,26,29)(H2,22,23,24,25,28)
• InChIKey: UHDGFZYDJUDIMJ-UHFFFAOYSA-N
• XLogP: 2.21
• TPSA: 118.01 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	436.81
LogP ≤ 5	2.21
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[6-[(8-chloro-1',1'-difluoro-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,3'-cyclobutane]-6-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide?

The IUPAC name of N-[6-[(8-chloro-1',1'-difluoro-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,3'-cyclobutane]-6-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide (CID 118598637) is N-[6-[(8-chloro-1',1'-difluoro-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,3'-cyclobutane]-6-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide.

What is the SMILES notation for N-[6-[(8-chloro-1',1'-difluoro-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,3'-cyclobutane]-6-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide?

The canonical SMILES for N-[6-[(8-chloro-1',1'-difluoro-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,3'-cyclobutane]-6-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide is O=C1NC2(CC(F)(F)C2)n2c1c(Cl)cc(Nc1cc(NC(=O)C3CC3)ncn1)c2=O.

What is the InChIKey of N-[6-[(8-chloro-1',1'-difluoro-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,3'-cyclobutane]-6-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide?

The InChIKey is UHDGFZYDJUDIMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClF2N6O3/c19-9-3-10(24-11-4-12(23-7-22-11)25-14(28)8-1-2-8)16(30)27-13(9)15(29)26-18(27)5-17(20,21)6-18/h3-4,7-8H,1-2,5-6H2,(H,26,29)(H2,22,23,24,25,28).

What are the key properties of N-[6-[(8-chloro-1',1'-difluoro-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,3'-cyclobutane]-6-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide?

N-[6-[(8-chloro-1',1'-difluoro-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,3'-cyclobutane]-6-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide has a molecular weight of 436.81 g/mol, XLogP of 2.21, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-[(8-chloro-1',1'-difluoro-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,3'-cyclobutane]-6-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide is sourced from PubChem (CID 118598637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).