4,5,6,7-tetrahydro-1H-indazol-3-yl-[4-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-1-yl]methanone

C19H20F3N7O — CID 16670633

IUPAC4,5,6,7-tetrahydro-1H-indazol-3-yl-[4-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-1-yl]methanone
SMILESO=C(c1n[nH]c2c1CCCC2)N1CCC(c2ccnc3nc(C(F)(F)F)nn23)CC1
InChIInChI=1S/C19H20F3N7O/c20-19(21,22)17-24-18-23-8-5-14(29(18)27-17)11-6-9-28(10-7-11)16(30)15-12-3-1-2-4-13(12)25-26-15/h5,8,11H,1-4,6-7,9-10H2,(H,25,26)
InChIKeyBKHLVOLDBLZYAR-UHFFFAOYSA-N
MW419.41 g/mol
LogP2.76
Rot. Bonds2

About 4,5,6,7-tetrahydro-1H-indazol-3-yl-[4-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-1-yl]methanone

4,5,6,7-tetrahydro-1H-indazol-3-yl-[4-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-1-yl]methanone (PubChem CID 16670633) has the molecular formula C19H20F3N7O and a molecular weight of 419.41 g/mol. Its IUPAC name is 4,5,6,7-tetrahydro-1H-indazol-3-yl-[4-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name4,5,6,7-tetrahydro-1H-indazol-3-yl-[4-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-1-yl]methanone
PubChem CID16670633
Molecular FormulaC19H20F3N7O
Molecular Weight419.41 g/mol
Exact Mass419.17
IUPAC Name4,5,6,7-tetrahydro-1H-indazol-3-yl-[4-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-1-yl]methanone
SMILESO=C(c1n[nH]c2c1CCCC2)N1CCC(c2ccnc3nc(C(F)(F)F)nn23)CC1
InChIInChI=1S/C19H20F3N7O/c20-19(21,22)17-24-18-23-8-5-14(29(18)27-17)11-6-9-28(10-7-11)16(30)15-12-3-1-2-4-13(12)25-26-15/h5,8,11H,1-4,6-7,9-10H2,(H,25,26)
InChIKeyBKHLVOLDBLZYAR-UHFFFAOYSA-N
XLogP2.76
TPSA92.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.41
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4,5,6,7-tetrahydro-1H-indazol-3-yl-[4-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-1-yl]methanone?
The IUPAC name of 4,5,6,7-tetrahydro-1H-indazol-3-yl-[4-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-1-yl]methanone (CID 16670633) is 4,5,6,7-tetrahydro-1H-indazol-3-yl-[4-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-1-yl]methanone.
What is the SMILES notation for 4,5,6,7-tetrahydro-1H-indazol-3-yl-[4-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-1-yl]methanone?
The canonical SMILES for 4,5,6,7-tetrahydro-1H-indazol-3-yl-[4-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-1-yl]methanone is O=C(c1n[nH]c2c1CCCC2)N1CCC(c2ccnc3nc(C(F)(F)F)nn23)CC1.
What is the InChIKey of 4,5,6,7-tetrahydro-1H-indazol-3-yl-[4-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-1-yl]methanone?
The InChIKey is BKHLVOLDBLZYAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N7O/c20-19(21,22)17-24-18-23-8-5-14(29(18)27-17)11-6-9-28(10-7-11)16(30)15-12-3-1-2-4-13(12)25-26-15/h5,8,11H,1-4,6-7,9-10H2,(H,25,26).
What are the key properties of 4,5,6,7-tetrahydro-1H-indazol-3-yl-[4-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-1-yl]methanone?
4,5,6,7-tetrahydro-1H-indazol-3-yl-[4-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-1-yl]methanone has a molecular weight of 419.41 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6,7-tetrahydro-1H-indazol-3-yl-[4-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 16670633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).