1-[2-(1,4-dimethylpyrazol-5-yl)-5-fluoro-4-pyridinyl]-N-methyl-N-(1,3-thiazol-2-ylmethyl)piperidine-4-carboxamide

C21H25FN6OS — CID 170782969

IUPAC1-[2-(1,4-dimethylpyrazol-5-yl)-5-fluoro-4-pyridinyl]-N-methyl-N-(1,3-thiazol-2-ylmethyl)piperidine-4-carboxamide
SMILESCc1cnn(C)c1-c1cc(N2CCC(C(=O)N(C)Cc3nccs3)CC2)c(F)cn1
InChIInChI=1S/C21H25FN6OS/c1-14-11-25-27(3)20(14)17-10-18(16(22)12-24-17)28-7-4-15(5-8-28)21(29)26(2)13-19-23-6-9-30-19/h6,9-12,15H,4-5,7-8,13H2,1-3H3
InChIKeyYEARRMIHPXFESU-UHFFFAOYSA-N
MW428.54 g/mol
LogP3.26
Rot. Bonds5

About 1-[2-(1,4-dimethylpyrazol-5-yl)-5-fluoro-4-pyridinyl]-N-methyl-N-(1,3-thiazol-2-ylmethyl)piperidine-4-carboxamide

1-[2-(1,4-dimethylpyrazol-5-yl)-5-fluoro-4-pyridinyl]-N-methyl-N-(1,3-thiazol-2-ylmethyl)piperidine-4-carboxamide (PubChem CID 170782969) has the molecular formula C21H25FN6OS and a molecular weight of 428.54 g/mol. Its IUPAC name is 1-[2-(1,4-dimethylpyrazol-5-yl)-5-fluoro-4-pyridinyl]-N-methyl-N-(1,3-thiazol-2-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(1,4-dimethylpyrazol-5-yl)-5-fluoro-4-pyridinyl]-N-methyl-N-(1,3-thiazol-2-ylmethyl)piperidine-4-carboxamide
PubChem CID170782969
Molecular FormulaC21H25FN6OS
Molecular Weight428.54 g/mol
Exact Mass428.18
IUPAC Name1-[2-(1,4-dimethylpyrazol-5-yl)-5-fluoro-4-pyridinyl]-N-methyl-N-(1,3-thiazol-2-ylmethyl)piperidine-4-carboxamide
SMILESCc1cnn(C)c1-c1cc(N2CCC(C(=O)N(C)Cc3nccs3)CC2)c(F)cn1
InChIInChI=1S/C21H25FN6OS/c1-14-11-25-27(3)20(14)17-10-18(16(22)12-24-17)28-7-4-15(5-8-28)21(29)26(2)13-19-23-6-9-30-19/h6,9-12,15H,4-5,7-8,13H2,1-3H3
InChIKeyYEARRMIHPXFESU-UHFFFAOYSA-N
XLogP3.26
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.54
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-(3,5-dimethyl-1H-pyrazol-1-yl)phenyl]-1-[(2-methyl-1,3-thiazol-5-yl)methyl]-4-piperidinecarboxamide
CID 24791869
1-[(1-methylpyrazol-4-yl)methyl]-N-[3-(1,3-thiazol-4-yl)phenyl]piperidine-4-carboxamide
CID 24791640
1-[3-(2-Methyl-3-pyridinyl)phenyl]-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one
CID 118196917
1-[3-Fluoro-5-(2-methyl-3-pyridinyl)phenyl]-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one
CID 122653979
1-[4-Fluoro-3-(2-methyl-3-pyridinyl)phenyl]-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one
CID 122654040
1-[3-(3-Methyl-2-pyridinyl)phenyl]-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one
CID 122659523
1-[(3-methyl-1-propyl-1H-pyrazol-4-yl)methyl]-N-[3-(1,3-thiazol-4-yl)phenyl]-4-piperidinecarboxamide
CID 24792955
1-[(2-methyl-1,3-thiazol-5-yl)methyl]-N-(4-pyrazol-1-ylphenyl)piperidine-4-carboxamide
CID 24817313
15-(1-Methylpyrazol-3-yl)-13-(4-methyl-1,3-thiazol-2-yl)-4,11-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,13-pentaen-12-one
CID 44290875
3-(1-Phenyl-3-thiophen-2-ylpyrazol-4-yl)-1-(4-pyridin-4-ylpiperazin-1-yl)prop-2-en-1-one
CID 44522263
Eba93ntr7P
CID 165412132
1-[(1-ethyl-1H-pyrazol-4-yl)methyl]-N-[3-(1,3-thiazol-4-yl)phenyl]-4-piperidinecarboxamide
CID 24790771

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,4-dimethylpyrazol-5-yl)-5-fluoro-4-pyridinyl]-N-methyl-N-(1,3-thiazol-2-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of 1-[2-(1,4-dimethylpyrazol-5-yl)-5-fluoro-4-pyridinyl]-N-methyl-N-(1,3-thiazol-2-ylmethyl)piperidine-4-carboxamide (CID 170782969) is 1-[2-(1,4-dimethylpyrazol-5-yl)-5-fluoro-4-pyridinyl]-N-methyl-N-(1,3-thiazol-2-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-(1,4-dimethylpyrazol-5-yl)-5-fluoro-4-pyridinyl]-N-methyl-N-(1,3-thiazol-2-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[2-(1,4-dimethylpyrazol-5-yl)-5-fluoro-4-pyridinyl]-N-methyl-N-(1,3-thiazol-2-ylmethyl)piperidine-4-carboxamide is Cc1cnn(C)c1-c1cc(N2CCC(C(=O)N(C)Cc3nccs3)CC2)c(F)cn1.
What is the InChIKey of 1-[2-(1,4-dimethylpyrazol-5-yl)-5-fluoro-4-pyridinyl]-N-methyl-N-(1,3-thiazol-2-ylmethyl)piperidine-4-carboxamide?
The InChIKey is YEARRMIHPXFESU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN6OS/c1-14-11-25-27(3)20(14)17-10-18(16(22)12-24-17)28-7-4-15(5-8-28)21(29)26(2)13-19-23-6-9-30-19/h6,9-12,15H,4-5,7-8,13H2,1-3H3.
What are the key properties of 1-[2-(1,4-dimethylpyrazol-5-yl)-5-fluoro-4-pyridinyl]-N-methyl-N-(1,3-thiazol-2-ylmethyl)piperidine-4-carboxamide?
1-[2-(1,4-dimethylpyrazol-5-yl)-5-fluoro-4-pyridinyl]-N-methyl-N-(1,3-thiazol-2-ylmethyl)piperidine-4-carboxamide has a molecular weight of 428.54 g/mol, XLogP of 3.26, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,4-dimethylpyrazol-5-yl)-5-fluoro-4-pyridinyl]-N-methyl-N-(1,3-thiazol-2-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 170782969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).