[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)piperidin-1-yl]methanone

C18H22F3N5O — CID 139013164

IUPAC[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)piperidin-1-yl]methanone
SMILESCc1[nH]nc(C(F)(F)F)c1C(=O)N1CCC(c2ncc3n2CCCC3)CC1
InChIInChI=1S/C18H22F3N5O/c1-11-14(15(24-23-11)18(19,20)21)17(27)25-8-5-12(6-9-25)16-22-10-13-4-2-3-7-26(13)16/h10,12H,2-9H2,1H3,(H,23,24)
InChIKeyVJSGXXKMKZLAGU-UHFFFAOYSA-N
MW381.40 g/mol
LogP3.29
Rot. Bonds2

About [5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)piperidin-1-yl]methanone

[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)piperidin-1-yl]methanone (PubChem CID 139013164) has the molecular formula C18H22F3N5O and a molecular weight of 381.40 g/mol. Its IUPAC name is [5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)piperidin-1-yl]methanone
PubChem CID139013164
Molecular FormulaC18H22F3N5O
Molecular Weight381.40 g/mol
Exact Mass381.18
IUPAC Name[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)piperidin-1-yl]methanone
SMILESCc1[nH]nc(C(F)(F)F)c1C(=O)N1CCC(c2ncc3n2CCCC3)CC1
InChIInChI=1S/C18H22F3N5O/c1-11-14(15(24-23-11)18(19,20)21)17(27)25-8-5-12(6-9-25)16-22-10-13-4-2-3-7-26(13)16/h10,12H,2-9H2,1H3,(H,23,24)
InChIKeyVJSGXXKMKZLAGU-UHFFFAOYSA-N
XLogP3.29
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.40
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)piperidin-1-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)piperidin-1-yl]methanone?
The IUPAC name of [5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)piperidin-1-yl]methanone (CID 139013164) is [5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)piperidin-1-yl]methanone.
What is the SMILES notation for [5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)piperidin-1-yl]methanone?
The canonical SMILES for [5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)piperidin-1-yl]methanone is Cc1[nH]nc(C(F)(F)F)c1C(=O)N1CCC(c2ncc3n2CCCC3)CC1.
What is the InChIKey of [5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)piperidin-1-yl]methanone?
The InChIKey is VJSGXXKMKZLAGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F3N5O/c1-11-14(15(24-23-11)18(19,20)21)17(27)25-8-5-12(6-9-25)16-22-10-13-4-2-3-7-26(13)16/h10,12H,2-9H2,1H3,(H,23,24).
What are the key properties of [5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)piperidin-1-yl]methanone?
[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)piperidin-1-yl]methanone has a molecular weight of 381.40 g/mol, XLogP of 3.29, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 139013164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).