5-(1-piperidin-4-ylpyrazol-4-yl)-3-[5-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1H-imidazol-2-yl]pyridin-2-amine

C20H19F3N8S — CID 141450023

IUPAC5-(1-piperidin-4-ylpyrazol-4-yl)-3-[5-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1H-imidazol-2-yl]pyridin-2-amine
SMILESNc1ncc(-c2cnn(C3CCNCC3)c2)cc1-c1ncc(-c2nc(C(F)(F)F)cs2)[nH]1
InChIInChI=1S/C20H19F3N8S/c21-20(22,23)16-10-32-19(30-16)15-8-27-18(29-15)14-5-11(6-26-17(14)24)12-7-28-31(9-12)13-1-3-25-4-2-13/h5-10,13,25H,1-4H2,(H2,24,26)(H,27,29)
InChIKeyJUWFZEIYVCDDKY-UHFFFAOYSA-N
MW460.49 g/mol
LogP3.98
Rot. Bonds4

About 5-(1-piperidin-4-ylpyrazol-4-yl)-3-[5-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1H-imidazol-2-yl]pyridin-2-amine

5-(1-piperidin-4-ylpyrazol-4-yl)-3-[5-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1H-imidazol-2-yl]pyridin-2-amine (PubChem CID 141450023) has the molecular formula C20H19F3N8S and a molecular weight of 460.49 g/mol. Its IUPAC name is 5-(1-piperidin-4-ylpyrazol-4-yl)-3-[5-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1H-imidazol-2-yl]pyridin-2-amine.

Molecular Properties

Compound Name5-(1-piperidin-4-ylpyrazol-4-yl)-3-[5-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1H-imidazol-2-yl]pyridin-2-amine
PubChem CID141450023
Molecular FormulaC20H19F3N8S
Molecular Weight460.49 g/mol
Exact Mass460.14
IUPAC Name5-(1-piperidin-4-ylpyrazol-4-yl)-3-[5-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1H-imidazol-2-yl]pyridin-2-amine
SMILESNc1ncc(-c2cnn(C3CCNCC3)c2)cc1-c1ncc(-c2nc(C(F)(F)F)cs2)[nH]1
InChIInChI=1S/C20H19F3N8S/c21-20(22,23)16-10-32-19(30-16)15-8-27-18(29-15)14-5-11(6-26-17(14)24)12-7-28-31(9-12)13-1-3-25-4-2-13/h5-10,13,25H,1-4H2,(H2,24,26)(H,27,29)
InChIKeyJUWFZEIYVCDDKY-UHFFFAOYSA-N
XLogP3.98
TPSA110.33 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.49
LogP ≤ 53.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

1-[(2R)-4-[4-(1H-benzimidazol-2-yl)-2-(trifluoromethyl)-1,3-thiazol-5-yl]-2-methylpiperazin-1-yl]-2-[4-[(dimethylamino)methyl]-3-methylpyrazol-1-yl]ethanone
CID 117739228
3-[[5-(1-Methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]thieno[2,3-b]pyridine
CID 53262678
N-(3-tert-butyl-1-ethylpyrazol-5-yl)-4-[6-(4-methylimidazol-1-yl)-3-pyridinyl]-1,3-thiazol-2-amine
CID 56592635
US9670204, 226 N-(6-(4-((1H-imidazol-2-yl)methyl)piperazin-1-yl)-2-ethylimidazo[1,2-a]pyridin-3-yl)-4-(4-fluorophenyl)-N-methylthiazol-2-amine
CID 78427642
N-(3-tert-butyl-1-methylpyrazol-5-yl)-4-[6-(4-methylimidazol-1-yl)-3-pyridinyl]-1,3-thiazol-2-amine
CID 89657801
N-(2-ethyl-4,5,6,7-tetrahydroindazol-3-yl)-4-[6-(4-methylimidazol-1-yl)-3-pyridinyl]-1,3-thiazol-2-amine
CID 89657814
1-[(2R)-4-[4-(1H-benzimidazol-2-yl)-2-(trifluoromethyl)-1,3-thiazol-5-yl]-2-methylpiperazin-1-yl]-2-[4-(1-methylpiperidin-4-yl)pyrazol-1-yl]ethanone
CID 89726091
US9670204, 192 N-(6-(4-((1H-imidazol-5-yl)methyl)piperazin-1-yl)-2-ethylimidazo[1,2-a]pyridin-3-yl)-4-(4-fluorophenyl)-N-methylthiazol-2-amine
CID 90420651
1-[(2R)-4-[4-(1H-benzimidazol-2-yl)-2-(trifluoromethyl)-1,3-thiazol-5-yl]-2-methylpiperazin-1-yl]-2-pyrazolo[3,4-b]pyridin-2-ylethanone
CID 89726264
US10336761, Example 17
CID 135262377
N-(5-methyl-2-pyridinyl)-4-[1-(1H-pyrazol-5-ylmethyl)pyrrolidin-2-yl]-1,3-thiazol-2-amine
CID 91800755
6-[4-amino-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
CID 145977679

Frequently Asked Questions

What is the IUPAC name of 5-(1-piperidin-4-ylpyrazol-4-yl)-3-[5-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1H-imidazol-2-yl]pyridin-2-amine?
The IUPAC name of 5-(1-piperidin-4-ylpyrazol-4-yl)-3-[5-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1H-imidazol-2-yl]pyridin-2-amine (CID 141450023) is 5-(1-piperidin-4-ylpyrazol-4-yl)-3-[5-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1H-imidazol-2-yl]pyridin-2-amine.
What is the SMILES notation for 5-(1-piperidin-4-ylpyrazol-4-yl)-3-[5-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1H-imidazol-2-yl]pyridin-2-amine?
The canonical SMILES for 5-(1-piperidin-4-ylpyrazol-4-yl)-3-[5-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1H-imidazol-2-yl]pyridin-2-amine is Nc1ncc(-c2cnn(C3CCNCC3)c2)cc1-c1ncc(-c2nc(C(F)(F)F)cs2)[nH]1.
What is the InChIKey of 5-(1-piperidin-4-ylpyrazol-4-yl)-3-[5-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1H-imidazol-2-yl]pyridin-2-amine?
The InChIKey is JUWFZEIYVCDDKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N8S/c21-20(22,23)16-10-32-19(30-16)15-8-27-18(29-15)14-5-11(6-26-17(14)24)12-7-28-31(9-12)13-1-3-25-4-2-13/h5-10,13,25H,1-4H2,(H2,24,26)(H,27,29).
What are the key properties of 5-(1-piperidin-4-ylpyrazol-4-yl)-3-[5-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1H-imidazol-2-yl]pyridin-2-amine?
5-(1-piperidin-4-ylpyrazol-4-yl)-3-[5-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1H-imidazol-2-yl]pyridin-2-amine has a molecular weight of 460.49 g/mol, XLogP of 3.98, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-piperidin-4-ylpyrazol-4-yl)-3-[5-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1H-imidazol-2-yl]pyridin-2-amine is sourced from PubChem (CID 141450023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).