5-[2-[[4-methyl-1-(1-methylpiperidin-4-yl)pyrazol-3-yl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]thiophene-3-carboxamide

C20H22F3N7OS — CID 168888645

IUPAC5-[2-[[4-methyl-1-(1-methylpiperidin-4-yl)pyrazol-3-yl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]thiophene-3-carboxamide
SMILESCc1cn(C2CCN(C)CC2)nc1Nc1ncc(C(F)(F)F)c(-c2cc(C(N)=O)cs2)n1
InChIInChI=1S/C20H22F3N7OS/c1-11-9-30(13-3-5-29(2)6-4-13)28-18(11)27-19-25-8-14(20(21,22)23)16(26-19)15-7-12(10-32-15)17(24)31/h7-10,13H,3-6H2,1-2H3,(H2,24,31)(H,25,26,27,28)
InChIKeyUIUHTQQOYHMSAT-UHFFFAOYSA-N
MW465.51 g/mol
LogP3.84
Rot. Bonds5

About 5-[2-[[4-methyl-1-(1-methylpiperidin-4-yl)pyrazol-3-yl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]thiophene-3-carboxamide

5-[2-[[4-methyl-1-(1-methylpiperidin-4-yl)pyrazol-3-yl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]thiophene-3-carboxamide (PubChem CID 168888645) has the molecular formula C20H22F3N7OS and a molecular weight of 465.51 g/mol. Its IUPAC name is 5-[2-[[4-methyl-1-(1-methylpiperidin-4-yl)pyrazol-3-yl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-[2-[[4-methyl-1-(1-methylpiperidin-4-yl)pyrazol-3-yl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]thiophene-3-carboxamide
PubChem CID168888645
Molecular FormulaC20H22F3N7OS
Molecular Weight465.51 g/mol
Exact Mass465.16
IUPAC Name5-[2-[[4-methyl-1-(1-methylpiperidin-4-yl)pyrazol-3-yl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]thiophene-3-carboxamide
SMILESCc1cn(C2CCN(C)CC2)nc1Nc1ncc(C(F)(F)F)c(-c2cc(C(N)=O)cs2)n1
InChIInChI=1S/C20H22F3N7OS/c1-11-9-30(13-3-5-29(2)6-4-13)28-18(11)27-19-25-8-14(20(21,22)23)16(26-19)15-7-12(10-32-15)17(24)31/h7-10,13H,3-6H2,1-2H3,(H2,24,31)(H,25,26,27,28)
InChIKeyUIUHTQQOYHMSAT-UHFFFAOYSA-N
XLogP3.84
TPSA101.96 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.51
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

5-[2-methyl-5-(trifluoromethyl)pyrimidin-4-yl]thiophene-3-carboxamide
CID 171510404
5-[2-[[3-fluoro-1-(1-methylpyrazol-4-yl)sulfanylpiperidin-4-yl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]thiophene-3-carboxamide
CID 171510394
4-methyl-7-[2-[[3-methyl-1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]-1,1-dioxo-2,3-dihydrothieno[2,3-f][1,4]thiazepin-5-one
CID 168888965
N-[4-chloro-1-(1-methylpiperidin-4-yl)pyrazol-3-yl]-4-(6,7-dihydro-5H-thieno[2,3-b][1,4]oxathiepin-2-yl)-5-(trifluoromethyl)pyrimidin-2-amine
CID 170570149
5-[2-[(7-ethyl-2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]thiophene-3-carboxylic acid
CID 168889352
methyl 5-[2-[2-ethyl-4-(4-methylpiperazin-1-yl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]thiophene-3-carboxylate
CID 168888958
7-[2-[[3-cyclopropyl-1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]-1-oxo-3,4-dihydro-2H-thieno[2,3-f][1,4]thiazepin-5-one
CID 170569902
N,2,2-trimethyl-N-[3-[[2-[[3-methyl-1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]propyl]propanamide
CID 155414974
N-methyl-N-[3-[[2-[[3-methyl-1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]propyl]cyclobutanecarboxamide
CID 155414904
tert-butyl 7-chloro-6-[[4-[4-(dimethylcarbamoyl)thiophen-2-yl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 168889306
7-chloro-2-cyclopropyl-N-[4-(4-methylsulfinylthiophen-2-yl)-5-(trifluoromethyl)pyrimidin-2-yl]-3,4-dihydro-1H-isoquinolin-6-amine
CID 168889628
ethane;2-methyl-4-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine
CID 170639587

Frequently Asked Questions

What is the IUPAC name of 5-[2-[[4-methyl-1-(1-methylpiperidin-4-yl)pyrazol-3-yl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]thiophene-3-carboxamide?
The IUPAC name of 5-[2-[[4-methyl-1-(1-methylpiperidin-4-yl)pyrazol-3-yl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]thiophene-3-carboxamide (CID 168888645) is 5-[2-[[4-methyl-1-(1-methylpiperidin-4-yl)pyrazol-3-yl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]thiophene-3-carboxamide.
What is the SMILES notation for 5-[2-[[4-methyl-1-(1-methylpiperidin-4-yl)pyrazol-3-yl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]thiophene-3-carboxamide?
The canonical SMILES for 5-[2-[[4-methyl-1-(1-methylpiperidin-4-yl)pyrazol-3-yl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]thiophene-3-carboxamide is Cc1cn(C2CCN(C)CC2)nc1Nc1ncc(C(F)(F)F)c(-c2cc(C(N)=O)cs2)n1.
What is the InChIKey of 5-[2-[[4-methyl-1-(1-methylpiperidin-4-yl)pyrazol-3-yl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]thiophene-3-carboxamide?
The InChIKey is UIUHTQQOYHMSAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3N7OS/c1-11-9-30(13-3-5-29(2)6-4-13)28-18(11)27-19-25-8-14(20(21,22)23)16(26-19)15-7-12(10-32-15)17(24)31/h7-10,13H,3-6H2,1-2H3,(H2,24,31)(H,25,26,27,28).
What are the key properties of 5-[2-[[4-methyl-1-(1-methylpiperidin-4-yl)pyrazol-3-yl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]thiophene-3-carboxamide?
5-[2-[[4-methyl-1-(1-methylpiperidin-4-yl)pyrazol-3-yl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]thiophene-3-carboxamide has a molecular weight of 465.51 g/mol, XLogP of 3.84, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[[4-methyl-1-(1-methylpiperidin-4-yl)pyrazol-3-yl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]thiophene-3-carboxamide is sourced from PubChem (CID 168888645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).