5-methyl-N-[5-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]-3,4-dihydropyridine-6-carboxamide

C17H18F3N5OS — CID 88581211

IUPAC5-methyl-N-[5-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]-3,4-dihydropyridine-6-carboxamide
SMILESCC1=C(C(=O)Nc2ncc(-c3cc(C(F)(F)F)nn3C(C)C)s2)N=CCC1
InChIInChI=1S/C17H18F3N5OS/c1-9(2)25-11(7-13(24-25)17(18,19)20)12-8-22-16(27-12)23-15(26)14-10(3)5-4-6-21-14/h6-9H,4-5H2,1-3H3,(H,22,23,26)
InChIKeyAZZKXQUPAJMJKM-UHFFFAOYSA-N
MW397.43 g/mol
LogP4.68
Rot. Bonds4

About 5-methyl-N-[5-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]-3,4-dihydropyridine-6-carboxamide

5-methyl-N-[5-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]-3,4-dihydropyridine-6-carboxamide (PubChem CID 88581211) has the molecular formula C17H18F3N5OS and a molecular weight of 397.43 g/mol. Its IUPAC name is 5-methyl-N-[5-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]-3,4-dihydropyridine-6-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[5-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]-3,4-dihydropyridine-6-carboxamide
PubChem CID88581211
Molecular FormulaC17H18F3N5OS
Molecular Weight397.43 g/mol
Exact Mass397.12
IUPAC Name5-methyl-N-[5-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]-3,4-dihydropyridine-6-carboxamide
SMILESCC1=C(C(=O)Nc2ncc(-c3cc(C(F)(F)F)nn3C(C)C)s2)N=CCC1
InChIInChI=1S/C17H18F3N5OS/c1-9(2)25-11(7-13(24-25)17(18,19)20)12-8-22-16(27-12)23-15(26)14-10(3)5-4-6-21-14/h6-9H,4-5H2,1-3H3,(H,22,23,26)
InChIKeyAZZKXQUPAJMJKM-UHFFFAOYSA-N
XLogP4.68
TPSA72.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.43
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[5-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]-3,4-dihydropyridine-6-carboxamide?
The IUPAC name of 5-methyl-N-[5-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]-3,4-dihydropyridine-6-carboxamide (CID 88581211) is 5-methyl-N-[5-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]-3,4-dihydropyridine-6-carboxamide.
What is the SMILES notation for 5-methyl-N-[5-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]-3,4-dihydropyridine-6-carboxamide?
The canonical SMILES for 5-methyl-N-[5-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]-3,4-dihydropyridine-6-carboxamide is CC1=C(C(=O)Nc2ncc(-c3cc(C(F)(F)F)nn3C(C)C)s2)N=CCC1.
What is the InChIKey of 5-methyl-N-[5-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]-3,4-dihydropyridine-6-carboxamide?
The InChIKey is AZZKXQUPAJMJKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N5OS/c1-9(2)25-11(7-13(24-25)17(18,19)20)12-8-22-16(27-12)23-15(26)14-10(3)5-4-6-21-14/h6-9H,4-5H2,1-3H3,(H,22,23,26).
What are the key properties of 5-methyl-N-[5-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]-3,4-dihydropyridine-6-carboxamide?
5-methyl-N-[5-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]-3,4-dihydropyridine-6-carboxamide has a molecular weight of 397.43 g/mol, XLogP of 4.68, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[5-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]-3,4-dihydropyridine-6-carboxamide is sourced from PubChem (CID 88581211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).