6-chloro-4-[[4-fluoro-3-[3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-7-carbonyl]phenyl]methyl]-7-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one

C23H18ClF4N5O2 — CID 90997625

IUPAC6-chloro-4-[[4-fluoro-3-[3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-7-carbonyl]phenyl]methyl]-7-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one
SMILESCc1cc2c(=O)[nH]cc(Cc3ccc(F)c(C(=O)C4CCn5c(nnc5C(F)(F)F)C4)c3)n2c1Cl
InChIInChI=1S/C23H18ClF4N5O2/c1-11-6-17-21(35)29-10-14(33(17)20(11)24)7-12-2-3-16(25)15(8-12)19(34)13-4-5-32-18(9-13)30-31-22(32)23(26,27)28/h2-3,6,8,10,13H,4-5,7,9H2,1H3,(H,29,35)
InChIKeyWRMGEKGGUCBJHU-UHFFFAOYSA-N
MW507.88 g/mol
LogP4.37
Rot. Bonds4

About 6-chloro-4-[[4-fluoro-3-[3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-7-carbonyl]phenyl]methyl]-7-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one

6-chloro-4-[[4-fluoro-3-[3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-7-carbonyl]phenyl]methyl]-7-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one (PubChem CID 90997625) has the molecular formula C23H18ClF4N5O2 and a molecular weight of 507.88 g/mol. Its IUPAC name is 6-chloro-4-[[4-fluoro-3-[3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-7-carbonyl]phenyl]methyl]-7-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one.

Molecular Properties

Compound Name6-chloro-4-[[4-fluoro-3-[3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-7-carbonyl]phenyl]methyl]-7-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one
PubChem CID90997625
Molecular FormulaC23H18ClF4N5O2
Molecular Weight507.88 g/mol
Exact Mass507.11
IUPAC Name6-chloro-4-[[4-fluoro-3-[3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-7-carbonyl]phenyl]methyl]-7-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one
SMILESCc1cc2c(=O)[nH]cc(Cc3ccc(F)c(C(=O)C4CCn5c(nnc5C(F)(F)F)C4)c3)n2c1Cl
InChIInChI=1S/C23H18ClF4N5O2/c1-11-6-17-21(35)29-10-14(33(17)20(11)24)7-12-2-3-16(25)15(8-12)19(34)13-4-5-32-18(9-13)30-31-22(32)23(26,27)28/h2-3,6,8,10,13H,4-5,7,9H2,1H3,(H,29,35)
InChIKeyWRMGEKGGUCBJHU-UHFFFAOYSA-N
XLogP4.37
TPSA85.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.88
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-chloro-4-[[4-fluoro-3-[3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-7-carbonyl]phenyl]methyl]-7-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-[[4-fluoro-3-[3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-7-carbonyl]phenyl]methyl]-7-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one?
The IUPAC name of 6-chloro-4-[[4-fluoro-3-[3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-7-carbonyl]phenyl]methyl]-7-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one (CID 90997625) is 6-chloro-4-[[4-fluoro-3-[3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-7-carbonyl]phenyl]methyl]-7-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one.
What is the SMILES notation for 6-chloro-4-[[4-fluoro-3-[3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-7-carbonyl]phenyl]methyl]-7-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one?
The canonical SMILES for 6-chloro-4-[[4-fluoro-3-[3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-7-carbonyl]phenyl]methyl]-7-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one is Cc1cc2c(=O)[nH]cc(Cc3ccc(F)c(C(=O)C4CCn5c(nnc5C(F)(F)F)C4)c3)n2c1Cl.
What is the InChIKey of 6-chloro-4-[[4-fluoro-3-[3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-7-carbonyl]phenyl]methyl]-7-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one?
The InChIKey is WRMGEKGGUCBJHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClF4N5O2/c1-11-6-17-21(35)29-10-14(33(17)20(11)24)7-12-2-3-16(25)15(8-12)19(34)13-4-5-32-18(9-13)30-31-22(32)23(26,27)28/h2-3,6,8,10,13H,4-5,7,9H2,1H3,(H,29,35).
What are the key properties of 6-chloro-4-[[4-fluoro-3-[3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-7-carbonyl]phenyl]methyl]-7-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one?
6-chloro-4-[[4-fluoro-3-[3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-7-carbonyl]phenyl]methyl]-7-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one has a molecular weight of 507.88 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-[[4-fluoro-3-[3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-7-carbonyl]phenyl]methyl]-7-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one is sourced from PubChem (CID 90997625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).