2-fluoro-N-[2-[1-(imidazo[1,2-a]pyridin-7-ylmethyl)-3-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]-2-oxoethyl]-5-(trifluoromethyl)benzamide;propane

About 2-fluoro-N-[2-[1-(imidazo[1,2-a]pyridin-7-ylmethyl)-3-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]-2-oxoethyl]-5-(trifluoromethyl)benzamide;propane

2-fluoro-N-[2-[1-(imidazo[1,2-a]pyridin-7-ylmethyl)-3-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]-2-oxoethyl]-5-(trifluoromethyl)benzamide;propane (PubChem CID 144940403) has the molecular formula C29H32F4N6O4 and a molecular weight of 604.61 g/mol. Its IUPAC name is 2-fluoro-N-[2-[1-(imidazo[1,2-a]pyridin-7-ylmethyl)-3-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]-2-oxoethyl]-5-(trifluoromethyl)benzamide;propane.

Molecular Properties

Compound Name	2-fluoro-N-[2-[1-(imidazo[1,2-a]pyridin-7-ylmethyl)-3-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]-2-oxoethyl]-5-(trifluoromethyl)benzamide;propane
PubChem CID	144940403
Molecular Formula	C29H32F4N6O4
Molecular Weight	604.61 g/mol
Exact Mass	604.24
IUPAC Name	2-fluoro-N-[2-[1-(imidazo[1,2-a]pyridin-7-ylmethyl)-3-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]-2-oxoethyl]-5-(trifluoromethyl)benzamide;propane
SMILES	CCC.CN1C(=O)N(Cc2ccn3ccnc3c2)C2(CCN(C(=O)CNC(=O)c3cc(C(F)(F)F)ccc3F)CC2)C1=O
InChI	InChI=1S/C26H24F4N6O4.C3H8/c1-33-23(39)25(36(24(33)40)15-16-4-8-34-11-7-31-20(34)12-16)5-9-35(10-6-25)21(37)14-32-22(38)18-13-17(26(28,29)30)2-3-19(18)27;1-3-2/h2-4,7-8,11-13H,5-6,9-10,14-15H2,1H3,(H,32,38);3H2,1-2H3
InChIKey	FJBVYPVSZVQFCC-UHFFFAOYSA-N
XLogP	4.09
TPSA	107.33 Å²
H-Bond Donors	1
H-Bond Acceptors	6
Rotatable Bonds	5
Heavy Atoms	43
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	604.61
LogP ≤ 5	4.09
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'hydantoin', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[2-[1-(imidazo[1,2-a]pyridin-7-ylmethyl)-3-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]-2-oxoethyl]-5-(trifluoromethyl)benzamide;propane?

The IUPAC name of 2-fluoro-N-[2-[1-(imidazo[1,2-a]pyridin-7-ylmethyl)-3-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]-2-oxoethyl]-5-(trifluoromethyl)benzamide;propane (CID 144940403) is 2-fluoro-N-[2-[1-(imidazo[1,2-a]pyridin-7-ylmethyl)-3-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]-2-oxoethyl]-5-(trifluoromethyl)benzamide;propane.

What is the SMILES notation for 2-fluoro-N-[2-[1-(imidazo[1,2-a]pyridin-7-ylmethyl)-3-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]-2-oxoethyl]-5-(trifluoromethyl)benzamide;propane?

The canonical SMILES for 2-fluoro-N-[2-[1-(imidazo[1,2-a]pyridin-7-ylmethyl)-3-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]-2-oxoethyl]-5-(trifluoromethyl)benzamide;propane is CCC.CN1C(=O)N(Cc2ccn3ccnc3c2)C2(CCN(C(=O)CNC(=O)c3cc(C(F)(F)F)ccc3F)CC2)C1=O.

What is the InChIKey of 2-fluoro-N-[2-[1-(imidazo[1,2-a]pyridin-7-ylmethyl)-3-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]-2-oxoethyl]-5-(trifluoromethyl)benzamide;propane?

The InChIKey is FJBVYPVSZVQFCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F4N6O4.C3H8/c1-33-23(39)25(36(24(33)40)15-16-4-8-34-11-7-31-20(34)12-16)5-9-35(10-6-25)21(37)14-32-22(38)18-13-17(26(28,29)30)2-3-19(18)27;1-3-2/h2-4,7-8,11-13H,5-6,9-10,14-15H2,1H3,(H,32,38);3H2,1-2H3.

What are the key properties of 2-fluoro-N-[2-[1-(imidazo[1,2-a]pyridin-7-ylmethyl)-3-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]-2-oxoethyl]-5-(trifluoromethyl)benzamide;propane?

2-fluoro-N-[2-[1-(imidazo[1,2-a]pyridin-7-ylmethyl)-3-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]-2-oxoethyl]-5-(trifluoromethyl)benzamide;propane has a molecular weight of 604.61 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-fluoro-N-[2-[1-(imidazo[1,2-a]pyridin-7-ylmethyl)-3-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]-2-oxoethyl]-5-(trifluoromethyl)benzamide;propane is sourced from PubChem (CID 144940403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).