1-methylsulfonyl-N-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]piperidine-4-carboxamide;hydrochloride

C14H21ClF3N5O3S — CID 141290536

IUPAC1-methylsulfonyl-N-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]piperidine-4-carboxamide;hydrochloride
SMILESCS(=O)(=O)N1CCC(C(=O)Nc2nc(C(F)(F)F)n3c2CNCC3)CC1.Cl
InChIInChI=1S/C14H20F3N5O3S.ClH/c1-26(24,25)21-5-2-9(3-6-21)12(23)19-11-10-8-18-4-7-22(10)13(20-11)14(15,16)17;/h9,18H,2-8H2,1H3,(H,19,23);1H
InChIKeyKSLNDKQGCBXVCC-UHFFFAOYSA-N
MW431.87 g/mol
LogP1.04
Rot. Bonds3

About 1-methylsulfonyl-N-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]piperidine-4-carboxamide;hydrochloride

1-methylsulfonyl-N-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]piperidine-4-carboxamide;hydrochloride (PubChem CID 141290536) has the molecular formula C14H21ClF3N5O3S and a molecular weight of 431.87 g/mol. Its IUPAC name is 1-methylsulfonyl-N-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-methylsulfonyl-N-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]piperidine-4-carboxamide;hydrochloride
PubChem CID141290536
Molecular FormulaC14H21ClF3N5O3S
Molecular Weight431.87 g/mol
Exact Mass431.10
IUPAC Name1-methylsulfonyl-N-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]piperidine-4-carboxamide;hydrochloride
SMILESCS(=O)(=O)N1CCC(C(=O)Nc2nc(C(F)(F)F)n3c2CNCC3)CC1.Cl
InChIInChI=1S/C14H20F3N5O3S.ClH/c1-26(24,25)21-5-2-9(3-6-21)12(23)19-11-10-8-18-4-7-22(10)13(20-11)14(15,16)17;/h9,18H,2-8H2,1H3,(H,19,23);1H
InChIKeyKSLNDKQGCBXVCC-UHFFFAOYSA-N
XLogP1.04
TPSA96.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.87
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonyl-N-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]piperidine-4-carboxamide;hydrochloride?
The IUPAC name of 1-methylsulfonyl-N-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]piperidine-4-carboxamide;hydrochloride (CID 141290536) is 1-methylsulfonyl-N-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for 1-methylsulfonyl-N-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for 1-methylsulfonyl-N-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]piperidine-4-carboxamide;hydrochloride is CS(=O)(=O)N1CCC(C(=O)Nc2nc(C(F)(F)F)n3c2CNCC3)CC1.Cl.
What is the InChIKey of 1-methylsulfonyl-N-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]piperidine-4-carboxamide;hydrochloride?
The InChIKey is KSLNDKQGCBXVCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N5O3S.ClH/c1-26(24,25)21-5-2-9(3-6-21)12(23)19-11-10-8-18-4-7-22(10)13(20-11)14(15,16)17;/h9,18H,2-8H2,1H3,(H,19,23);1H.
What are the key properties of 1-methylsulfonyl-N-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]piperidine-4-carboxamide;hydrochloride?
1-methylsulfonyl-N-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]piperidine-4-carboxamide;hydrochloride has a molecular weight of 431.87 g/mol, XLogP of 1.04, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonyl-N-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 141290536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).