N-[6-[[8-chloro-3-methyl-1,5-dioxo-3-[3-(trifluoromethyl)phenyl]-2H-imidazo[1,5-a]pyridin-6-yl]amino]pyrimidin-4-yl]spiro[2.3]hexane-2-carboxamide

C26H22ClF3N6O3 — CID 139387357

About N-[6-[[8-chloro-3-methyl-1,5-dioxo-3-[3-(trifluoromethyl)phenyl]-2H-imidazo[1,5-a]pyridin-6-yl]amino]pyrimidin-4-yl]spiro[2.3]hexane-2-carboxamide

N-[6-[[8-chloro-3-methyl-1,5-dioxo-3-[3-(trifluoromethyl)phenyl]-2H-imidazo[1,5-a]pyridin-6-yl]amino]pyrimidin-4-yl]spiro[2.3]hexane-2-carboxamide (PubChem CID 139387357) has the molecular formula C26H22ClF3N6O3 and a molecular weight of 558.95 g/mol. Its IUPAC name is N-[6-[[8-chloro-3-methyl-1,5-dioxo-3-[3-(trifluoromethyl)phenyl]-2H-imidazo[1,5-a]pyridin-6-yl]amino]pyrimidin-4-yl]spiro[2.3]hexane-2-carboxamide.

Molecular Properties

• Compound Name: N-[6-[[8-chloro-3-methyl-1,5-dioxo-3-[3-(trifluoromethyl)phenyl]-2H-imidazo[1,5-a]pyridin-6-yl]amino]pyrimidin-4-yl]spiro[2.3]hexane-2-carboxamide
• PubChem CID: 139387357
• Molecular Formula: C26H22ClF3N6O3
• Molecular Weight: 558.95 g/mol
• Exact Mass: 558.14
• IUPAC Name: N-[6-[[8-chloro-3-methyl-1,5-dioxo-3-[3-(trifluoromethyl)phenyl]-2H-imidazo[1,5-a]pyridin-6-yl]amino]pyrimidin-4-yl]spiro[2.3]hexane-2-carboxamide
• SMILES: CC1(c2cccc(C(F)(F)F)c2)NC(=O)c2c(Cl)cc(Nc3cc(NC(=O)C4CC45CCC5)ncn3)c(=O)n21
• InChI: InChI=1S/C26H22ClF3N6O3/c1-24(13-4-2-5-14(8-13)26(28,29)30)35-22(38)20-16(27)9-17(23(39)36(20)24)33-18-10-19(32-12-31-18)34-21(37)15-11-25(15)6-3-7-25/h2,4-5,8-10,12,15H,3,6-7,11H2,1H3,(H,35,38)(H2,31,32,33,34,37)
• InChIKey: YGISZKWTPKHIGG-UHFFFAOYSA-N
• XLogP: 4.65
• TPSA: 118.01 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	558.95
LogP ≤ 5	4.65
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[6-[[8-chloro-3-methyl-1,5-dioxo-3-[3-(trifluoromethyl)phenyl]-2H-imidazo[1,5-a]pyridin-6-yl]amino]pyrimidin-4-yl]spiro[2.3]hexane-2-carboxamide?

The IUPAC name of N-[6-[[8-chloro-3-methyl-1,5-dioxo-3-[3-(trifluoromethyl)phenyl]-2H-imidazo[1,5-a]pyridin-6-yl]amino]pyrimidin-4-yl]spiro[2.3]hexane-2-carboxamide (CID 139387357) is N-[6-[[8-chloro-3-methyl-1,5-dioxo-3-[3-(trifluoromethyl)phenyl]-2H-imidazo[1,5-a]pyridin-6-yl]amino]pyrimidin-4-yl]spiro[2.3]hexane-2-carboxamide.

What is the SMILES notation for N-[6-[[8-chloro-3-methyl-1,5-dioxo-3-[3-(trifluoromethyl)phenyl]-2H-imidazo[1,5-a]pyridin-6-yl]amino]pyrimidin-4-yl]spiro[2.3]hexane-2-carboxamide?

The canonical SMILES for N-[6-[[8-chloro-3-methyl-1,5-dioxo-3-[3-(trifluoromethyl)phenyl]-2H-imidazo[1,5-a]pyridin-6-yl]amino]pyrimidin-4-yl]spiro[2.3]hexane-2-carboxamide is CC1(c2cccc(C(F)(F)F)c2)NC(=O)c2c(Cl)cc(Nc3cc(NC(=O)C4CC45CCC5)ncn3)c(=O)n21.

What is the InChIKey of N-[6-[[8-chloro-3-methyl-1,5-dioxo-3-[3-(trifluoromethyl)phenyl]-2H-imidazo[1,5-a]pyridin-6-yl]amino]pyrimidin-4-yl]spiro[2.3]hexane-2-carboxamide?

The InChIKey is YGISZKWTPKHIGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22ClF3N6O3/c1-24(13-4-2-5-14(8-13)26(28,29)30)35-22(38)20-16(27)9-17(23(39)36(20)24)33-18-10-19(32-12-31-18)34-21(37)15-11-25(15)6-3-7-25/h2,4-5,8-10,12,15H,3,6-7,11H2,1H3,(H,35,38)(H2,31,32,33,34,37).

What are the key properties of N-[6-[[8-chloro-3-methyl-1,5-dioxo-3-[3-(trifluoromethyl)phenyl]-2H-imidazo[1,5-a]pyridin-6-yl]amino]pyrimidin-4-yl]spiro[2.3]hexane-2-carboxamide?

N-[6-[[8-chloro-3-methyl-1,5-dioxo-3-[3-(trifluoromethyl)phenyl]-2H-imidazo[1,5-a]pyridin-6-yl]amino]pyrimidin-4-yl]spiro[2.3]hexane-2-carboxamide has a molecular weight of 558.95 g/mol, XLogP of 4.65, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-[[8-chloro-3-methyl-1,5-dioxo-3-[3-(trifluoromethyl)phenyl]-2H-imidazo[1,5-a]pyridin-6-yl]amino]pyrimidin-4-yl]spiro[2.3]hexane-2-carboxamide is sourced from PubChem (CID 139387357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).