N-[1-[[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]methyl]piperidin-4-yl]-5-methoxythiophene-2-carboxamide

C22H25FN4O2S — CID 92566117

IUPACN-[1-[[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]methyl]piperidin-4-yl]-5-methoxythiophene-2-carboxamide
SMILESCOc1ccc(C(=O)NC2CCN(Cc3cc(-c4ccc(F)cc4)nn3C)CC2)s1
InChIInChI=1S/C22H25FN4O2S/c1-26-18(13-19(25-26)15-3-5-16(23)6-4-15)14-27-11-9-17(10-12-27)24-22(28)20-7-8-21(29-2)30-20/h3-8,13,17H,9-12,14H2,1-2H3,(H,24,28)
InChIKeyPLXRAYYGNPZMDI-UHFFFAOYSA-N
MW428.53 g/mol
LogP3.69
Rot. Bonds6

About N-[1-[[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]methyl]piperidin-4-yl]-5-methoxythiophene-2-carboxamide

N-[1-[[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]methyl]piperidin-4-yl]-5-methoxythiophene-2-carboxamide (PubChem CID 92566117) has the molecular formula C22H25FN4O2S and a molecular weight of 428.53 g/mol. Its IUPAC name is N-[1-[[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]methyl]piperidin-4-yl]-5-methoxythiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-[[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]methyl]piperidin-4-yl]-5-methoxythiophene-2-carboxamide
PubChem CID92566117
Molecular FormulaC22H25FN4O2S
Molecular Weight428.53 g/mol
Exact Mass428.17
IUPAC NameN-[1-[[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]methyl]piperidin-4-yl]-5-methoxythiophene-2-carboxamide
SMILESCOc1ccc(C(=O)NC2CCN(Cc3cc(-c4ccc(F)cc4)nn3C)CC2)s1
InChIInChI=1S/C22H25FN4O2S/c1-26-18(13-19(25-26)15-3-5-16(23)6-4-15)14-27-11-9-17(10-12-27)24-22(28)20-7-8-21(29-2)30-20/h3-8,13,17H,9-12,14H2,1-2H3,(H,24,28)
InChIKeyPLXRAYYGNPZMDI-UHFFFAOYSA-N
XLogP3.69
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.53
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-[[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]methyl]piperidin-4-yl]-1-methylpyrazole-3-carboxamide
CID 92567188
N-[1-[[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]methyl]piperidin-4-yl]-4-methyl-1,2,5-oxadiazole-3-carboxamide
CID 92597215
5-ethyl-N-[1-[[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]methyl]piperidin-4-yl]-2,4-dimethylpyrazole-3-carboxamide
CID 92588191
2-methoxy-N-[1-[(1-methyl-3-pyridin-3-ylpyrazol-5-yl)methyl]piperidin-4-yl]benzamide
CID 92566167
5-(4-fluorophenyl)-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]thiophene-2-carboxamide
CID 56569475
5-ethyl-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-4-methylthiophene-2-carboxamide
CID 55959793
4-fluoro-N-[1-[[3-(2-methoxyphenyl)phenyl]methyl]piperidin-4-yl]benzamide
CID 134800444
4-fluoro-N-[1-(2-methoxyethyl)piperidin-4-yl]benzamide
CID 34797820
N-[4-[2-[4-(5-chloro-6-fluoro-1,2-benzoxazol-3-yl)piperazin-1-yl]ethyl]cyclohexyl]-5-methoxythiophene-2-carboxamide
CID 59252310
5-bromo-N-(1-propylpiperidin-4-yl)thiophene-2-carboxamide
CID 17249869
N-[1-[[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]methyl]piperidin-4-yl]-2-morpholin-4-ylpropanamide
CID 110217989
5-(1,3-benzothiazol-2-yl)-N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]thiophene-2-carboxamide
CID 55951601

Frequently Asked Questions

What is the IUPAC name of N-[1-[[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]methyl]piperidin-4-yl]-5-methoxythiophene-2-carboxamide?
The IUPAC name of N-[1-[[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]methyl]piperidin-4-yl]-5-methoxythiophene-2-carboxamide (CID 92566117) is N-[1-[[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]methyl]piperidin-4-yl]-5-methoxythiophene-2-carboxamide.
What is the SMILES notation for N-[1-[[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]methyl]piperidin-4-yl]-5-methoxythiophene-2-carboxamide?
The canonical SMILES for N-[1-[[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]methyl]piperidin-4-yl]-5-methoxythiophene-2-carboxamide is COc1ccc(C(=O)NC2CCN(Cc3cc(-c4ccc(F)cc4)nn3C)CC2)s1.
What is the InChIKey of N-[1-[[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]methyl]piperidin-4-yl]-5-methoxythiophene-2-carboxamide?
The InChIKey is PLXRAYYGNPZMDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN4O2S/c1-26-18(13-19(25-26)15-3-5-16(23)6-4-15)14-27-11-9-17(10-12-27)24-22(28)20-7-8-21(29-2)30-20/h3-8,13,17H,9-12,14H2,1-2H3,(H,24,28).
What are the key properties of N-[1-[[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]methyl]piperidin-4-yl]-5-methoxythiophene-2-carboxamide?
N-[1-[[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]methyl]piperidin-4-yl]-5-methoxythiophene-2-carboxamide has a molecular weight of 428.53 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]methyl]piperidin-4-yl]-5-methoxythiophene-2-carboxamide is sourced from PubChem (CID 92566117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).