5-[6,6-dimethyl-4-oxo-3-(trifluoromethyl)-5,7-dihydroindazol-1-yl]-3-[(2-hydroxycyclopentyl)amino]pyrazine-2-carboxamide

C20H23F3N6O3 — CID 24937816

IUPAC5-[6,6-dimethyl-4-oxo-3-(trifluoromethyl)-5,7-dihydroindazol-1-yl]-3-[(2-hydroxycyclopentyl)amino]pyrazine-2-carboxamide
SMILESCC1(C)CC(=O)c2c(C(F)(F)F)nn(-c3cnc(C(N)=O)c(NC4CCCC4O)n3)c2C1
InChIInChI=1S/C20H23F3N6O3/c1-19(2)6-10-14(12(31)7-19)16(20(21,22)23)28-29(10)13-8-25-15(17(24)32)18(27-13)26-9-4-3-5-11(9)30/h8-9,11,30H,3-7H2,1-2H3,(H2,24,32)(H,26,27)
InChIKeyONLCDVGMKHCAML-UHFFFAOYSA-N
MW452.44 g/mol
LogP2.26
Rot. Bonds4

About 5-[6,6-dimethyl-4-oxo-3-(trifluoromethyl)-5,7-dihydroindazol-1-yl]-3-[(2-hydroxycyclopentyl)amino]pyrazine-2-carboxamide

5-[6,6-dimethyl-4-oxo-3-(trifluoromethyl)-5,7-dihydroindazol-1-yl]-3-[(2-hydroxycyclopentyl)amino]pyrazine-2-carboxamide (PubChem CID 24937816) has the molecular formula C20H23F3N6O3 and a molecular weight of 452.44 g/mol. Its IUPAC name is 5-[6,6-dimethyl-4-oxo-3-(trifluoromethyl)-5,7-dihydroindazol-1-yl]-3-[(2-hydroxycyclopentyl)amino]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-[6,6-dimethyl-4-oxo-3-(trifluoromethyl)-5,7-dihydroindazol-1-yl]-3-[(2-hydroxycyclopentyl)amino]pyrazine-2-carboxamide
PubChem CID24937816
Molecular FormulaC20H23F3N6O3
Molecular Weight452.44 g/mol
Exact Mass452.18
IUPAC Name5-[6,6-dimethyl-4-oxo-3-(trifluoromethyl)-5,7-dihydroindazol-1-yl]-3-[(2-hydroxycyclopentyl)amino]pyrazine-2-carboxamide
SMILESCC1(C)CC(=O)c2c(C(F)(F)F)nn(-c3cnc(C(N)=O)c(NC4CCCC4O)n3)c2C1
InChIInChI=1S/C20H23F3N6O3/c1-19(2)6-10-14(12(31)7-19)16(20(21,22)23)28-29(10)13-8-25-15(17(24)32)18(27-13)26-9-4-3-5-11(9)30/h8-9,11,30H,3-7H2,1-2H3,(H2,24,32)(H,26,27)
InChIKeyONLCDVGMKHCAML-UHFFFAOYSA-N
XLogP2.26
TPSA136.02 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.44
LogP ≤ 52.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[6,6-dimethyl-4-oxo-3-(trifluoromethyl)-5,7-dihydroindazol-1-yl]-3-[(2-hydroxycyclopentyl)amino]pyrazine-2-carboxamide?
The IUPAC name of 5-[6,6-dimethyl-4-oxo-3-(trifluoromethyl)-5,7-dihydroindazol-1-yl]-3-[(2-hydroxycyclopentyl)amino]pyrazine-2-carboxamide (CID 24937816) is 5-[6,6-dimethyl-4-oxo-3-(trifluoromethyl)-5,7-dihydroindazol-1-yl]-3-[(2-hydroxycyclopentyl)amino]pyrazine-2-carboxamide.
What is the SMILES notation for 5-[6,6-dimethyl-4-oxo-3-(trifluoromethyl)-5,7-dihydroindazol-1-yl]-3-[(2-hydroxycyclopentyl)amino]pyrazine-2-carboxamide?
The canonical SMILES for 5-[6,6-dimethyl-4-oxo-3-(trifluoromethyl)-5,7-dihydroindazol-1-yl]-3-[(2-hydroxycyclopentyl)amino]pyrazine-2-carboxamide is CC1(C)CC(=O)c2c(C(F)(F)F)nn(-c3cnc(C(N)=O)c(NC4CCCC4O)n3)c2C1.
What is the InChIKey of 5-[6,6-dimethyl-4-oxo-3-(trifluoromethyl)-5,7-dihydroindazol-1-yl]-3-[(2-hydroxycyclopentyl)amino]pyrazine-2-carboxamide?
The InChIKey is ONLCDVGMKHCAML-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F3N6O3/c1-19(2)6-10-14(12(31)7-19)16(20(21,22)23)28-29(10)13-8-25-15(17(24)32)18(27-13)26-9-4-3-5-11(9)30/h8-9,11,30H,3-7H2,1-2H3,(H2,24,32)(H,26,27).
What are the key properties of 5-[6,6-dimethyl-4-oxo-3-(trifluoromethyl)-5,7-dihydroindazol-1-yl]-3-[(2-hydroxycyclopentyl)amino]pyrazine-2-carboxamide?
5-[6,6-dimethyl-4-oxo-3-(trifluoromethyl)-5,7-dihydroindazol-1-yl]-3-[(2-hydroxycyclopentyl)amino]pyrazine-2-carboxamide has a molecular weight of 452.44 g/mol, XLogP of 2.26, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6,6-dimethyl-4-oxo-3-(trifluoromethyl)-5,7-dihydroindazol-1-yl]-3-[(2-hydroxycyclopentyl)amino]pyrazine-2-carboxamide is sourced from PubChem (CID 24937816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).