2-[3-[(R)-cyclobutyl-(4-methyl-1,2,4-triazolidin-3-yl)methyl]cyclohexyl]-6-[(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one

C25H36F3N7O3S — CID 171752758

IUPAC2-[3-[(R)-cyclobutyl-(4-methyl-1,2,4-triazolidin-3-yl)methyl]cyclohexyl]-6-[(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one
SMILESCN1CNNC1[C@H](C1CCC1)C1CCCC(n2cc3c(C(F)(F)F)cc(CN4CCNS4(=O)=O)cn3c2=O)C1
InChIInChI=1S/C25H36F3N7O3S/c1-32-15-29-31-23(32)22(17-4-2-5-17)18-6-3-7-19(11-18)34-14-21-20(25(26,27)28)10-16(13-35(21)24(34)36)12-33-9-8-30-39(33,37)38/h10,13-14,17-19,22-23,29-31H,2-9,11-12,15H2,1H3/t18?,19?,22-,23?/m1/s1
InChIKeyRNUXTPMZFNYWSC-CPKBAHJLSA-N
MW571.67 g/mol
LogP2.24
Rot. Bonds6

About 2-[3-[(R)-cyclobutyl-(4-methyl-1,2,4-triazolidin-3-yl)methyl]cyclohexyl]-6-[(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one

2-[3-[(R)-cyclobutyl-(4-methyl-1,2,4-triazolidin-3-yl)methyl]cyclohexyl]-6-[(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one (PubChem CID 171752758) has the molecular formula C25H36F3N7O3S and a molecular weight of 571.67 g/mol. Its IUPAC name is 2-[3-[(R)-cyclobutyl-(4-methyl-1,2,4-triazolidin-3-yl)methyl]cyclohexyl]-6-[(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one.

Molecular Properties

Compound Name2-[3-[(R)-cyclobutyl-(4-methyl-1,2,4-triazolidin-3-yl)methyl]cyclohexyl]-6-[(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one
PubChem CID171752758
Molecular FormulaC25H36F3N7O3S
Molecular Weight571.67 g/mol
Exact Mass571.26
IUPAC Name2-[3-[(R)-cyclobutyl-(4-methyl-1,2,4-triazolidin-3-yl)methyl]cyclohexyl]-6-[(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one
SMILESCN1CNNC1[C@H](C1CCC1)C1CCCC(n2cc3c(C(F)(F)F)cc(CN4CCNS4(=O)=O)cn3c2=O)C1
InChIInChI=1S/C25H36F3N7O3S/c1-32-15-29-31-23(32)22(17-4-2-5-17)18-6-3-7-19(11-18)34-14-21-20(25(26,27)28)10-16(13-35(21)24(34)36)12-33-9-8-30-39(33,37)38/h10,13-14,17-19,22-23,29-31H,2-9,11-12,15H2,1H3/t18?,19?,22-,23?/m1/s1
InChIKeyRNUXTPMZFNYWSC-CPKBAHJLSA-N
XLogP2.24
TPSA103.12 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500571.67
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 2-[3-[(R)-cyclobutyl-(4-methyl-1,2,4-triazolidin-3-yl)methyl]cyclohexyl]-6-[(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[(R)-cyclobutyl-(4-methyl-1,2,4-triazolidin-3-yl)methyl]cyclohexyl]-6-[(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one?
The IUPAC name of 2-[3-[(R)-cyclobutyl-(4-methyl-1,2,4-triazolidin-3-yl)methyl]cyclohexyl]-6-[(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one (CID 171752758) is 2-[3-[(R)-cyclobutyl-(4-methyl-1,2,4-triazolidin-3-yl)methyl]cyclohexyl]-6-[(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one.
What is the SMILES notation for 2-[3-[(R)-cyclobutyl-(4-methyl-1,2,4-triazolidin-3-yl)methyl]cyclohexyl]-6-[(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one?
The canonical SMILES for 2-[3-[(R)-cyclobutyl-(4-methyl-1,2,4-triazolidin-3-yl)methyl]cyclohexyl]-6-[(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one is CN1CNNC1[C@H](C1CCC1)C1CCCC(n2cc3c(C(F)(F)F)cc(CN4CCNS4(=O)=O)cn3c2=O)C1.
What is the InChIKey of 2-[3-[(R)-cyclobutyl-(4-methyl-1,2,4-triazolidin-3-yl)methyl]cyclohexyl]-6-[(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one?
The InChIKey is RNUXTPMZFNYWSC-CPKBAHJLSA-N. The full InChI is InChI=1S/C25H36F3N7O3S/c1-32-15-29-31-23(32)22(17-4-2-5-17)18-6-3-7-19(11-18)34-14-21-20(25(26,27)28)10-16(13-35(21)24(34)36)12-33-9-8-30-39(33,37)38/h10,13-14,17-19,22-23,29-31H,2-9,11-12,15H2,1H3/t18?,19?,22-,23?/m1/s1.
What are the key properties of 2-[3-[(R)-cyclobutyl-(4-methyl-1,2,4-triazolidin-3-yl)methyl]cyclohexyl]-6-[(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one?
2-[3-[(R)-cyclobutyl-(4-methyl-1,2,4-triazolidin-3-yl)methyl]cyclohexyl]-6-[(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one has a molecular weight of 571.67 g/mol, XLogP of 2.24, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(R)-cyclobutyl-(4-methyl-1,2,4-triazolidin-3-yl)methyl]cyclohexyl]-6-[(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one is sourced from PubChem (CID 171752758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).