[5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone

C19H18F3N5OS — CID 56532607

IUPAC[5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
SMILESCc1c(C(=O)N2CCCC(c3nccs3)C2)cnn1-c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C19H18F3N5OS/c1-12-15(10-25-27(12)16-5-4-14(9-24-16)19(20,21)22)18(28)26-7-2-3-13(11-26)17-23-6-8-29-17/h4-6,8-10,13H,2-3,7,11H2,1H3
InChIKeyUJPTXRRZGBFAOS-UHFFFAOYSA-N
MW421.45 g/mol
LogP4.07
Rot. Bonds3

About [5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone

[5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone (PubChem CID 56532607) has the molecular formula C19H18F3N5OS and a molecular weight of 421.45 g/mol. Its IUPAC name is [5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
PubChem CID56532607
Molecular FormulaC19H18F3N5OS
Molecular Weight421.45 g/mol
Exact Mass421.12
IUPAC Name[5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
SMILESCc1c(C(=O)N2CCCC(c3nccs3)C2)cnn1-c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C19H18F3N5OS/c1-12-15(10-25-27(12)16-5-4-14(9-24-16)19(20,21)22)18(28)26-7-2-3-13(11-26)17-23-6-8-29-17/h4-6,8-10,13H,2-3,7,11H2,1H3
InChIKeyUJPTXRRZGBFAOS-UHFFFAOYSA-N
XLogP4.07
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.45
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone?
The IUPAC name of [5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone (CID 56532607) is [5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for [5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for [5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone is Cc1c(C(=O)N2CCCC(c3nccs3)C2)cnn1-c1ccc(C(F)(F)F)cn1.
What is the InChIKey of [5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone?
The InChIKey is UJPTXRRZGBFAOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N5OS/c1-12-15(10-25-27(12)16-5-4-14(9-24-16)19(20,21)22)18(28)26-7-2-3-13(11-26)17-23-6-8-29-17/h4-6,8-10,13H,2-3,7,11H2,1H3.
What are the key properties of [5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone?
[5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone has a molecular weight of 421.45 g/mol, XLogP of 4.07, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 56532607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).