N-(1-benzylpiperidin-4-yl)-5-fluoro-N-(1-phenylpyrazol-3-yl)thiophene-2-carboxamide

C26H25FN4OS — CID 138584975

IUPACN-(1-benzylpiperidin-4-yl)-5-fluoro-N-(1-phenylpyrazol-3-yl)thiophene-2-carboxamide
SMILESO=C(c1ccc(F)s1)N(c1ccn(-c2ccccc2)n1)C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C26H25FN4OS/c27-24-12-11-23(33-24)26(32)31(25-15-18-30(28-25)21-9-5-2-6-10-21)22-13-16-29(17-14-22)19-20-7-3-1-4-8-20/h1-12,15,18,22H,13-14,16-17,19H2
InChIKeyVTEFMBSYBDGIAF-UHFFFAOYSA-N
MW460.58 g/mol
LogP5.38
Rot. Bonds6

About N-(1-benzylpiperidin-4-yl)-5-fluoro-N-(1-phenylpyrazol-3-yl)thiophene-2-carboxamide

N-(1-benzylpiperidin-4-yl)-5-fluoro-N-(1-phenylpyrazol-3-yl)thiophene-2-carboxamide (PubChem CID 138584975) has the molecular formula C26H25FN4OS and a molecular weight of 460.58 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-5-fluoro-N-(1-phenylpyrazol-3-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-5-fluoro-N-(1-phenylpyrazol-3-yl)thiophene-2-carboxamide
PubChem CID138584975
Molecular FormulaC26H25FN4OS
Molecular Weight460.58 g/mol
Exact Mass460.17
IUPAC NameN-(1-benzylpiperidin-4-yl)-5-fluoro-N-(1-phenylpyrazol-3-yl)thiophene-2-carboxamide
SMILESO=C(c1ccc(F)s1)N(c1ccn(-c2ccccc2)n1)C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C26H25FN4OS/c27-24-12-11-23(33-24)26(32)31(25-15-18-30(28-25)21-9-5-2-6-10-21)22-13-16-29(17-14-22)19-20-7-3-1-4-8-20/h1-12,15,18,22H,13-14,16-17,19H2
InChIKeyVTEFMBSYBDGIAF-UHFFFAOYSA-N
XLogP5.38
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.58
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-Anilino-1-[4-(cyanomethyl)-1-(thiophene-2-carbonyl)piperidin-4-yl]pyrazole-4-carboxamide
CID 89462279
N-{4-[(4-methyl-1-piperazinyl)carbonyl]-1-phenyl-1H-pyrazol-5-yl}-2-thiophenecarboxamide
CID 1350909
5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-N-(3-fluoro-2-pyridinyl)thiophene-2-carboxamide
CID 68062166
N-(3-fluoro-2-pyridinyl)-5-(1-methyl-3-phenylpyrazol-5-yl)thiophene-2-carboxamide
CID 68062187
US10577360, Example 1
CID 132010851
US10577360, Example 135
CID 132035781
US10577360, Example 82
CID 132035905
US10577360, Example 119
CID 132036168
US10577360, Example 93
CID 132036346
US10577360, Example 92
CID 132036348
US10577360, Example 91
CID 138584940
US10577360, Example 72
CID 138584987

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-5-fluoro-N-(1-phenylpyrazol-3-yl)thiophene-2-carboxamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-5-fluoro-N-(1-phenylpyrazol-3-yl)thiophene-2-carboxamide (CID 138584975) is N-(1-benzylpiperidin-4-yl)-5-fluoro-N-(1-phenylpyrazol-3-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-5-fluoro-N-(1-phenylpyrazol-3-yl)thiophene-2-carboxamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-5-fluoro-N-(1-phenylpyrazol-3-yl)thiophene-2-carboxamide is O=C(c1ccc(F)s1)N(c1ccn(-c2ccccc2)n1)C1CCN(Cc2ccccc2)CC1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-5-fluoro-N-(1-phenylpyrazol-3-yl)thiophene-2-carboxamide?
The InChIKey is VTEFMBSYBDGIAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25FN4OS/c27-24-12-11-23(33-24)26(32)31(25-15-18-30(28-25)21-9-5-2-6-10-21)22-13-16-29(17-14-22)19-20-7-3-1-4-8-20/h1-12,15,18,22H,13-14,16-17,19H2.
What are the key properties of N-(1-benzylpiperidin-4-yl)-5-fluoro-N-(1-phenylpyrazol-3-yl)thiophene-2-carboxamide?
N-(1-benzylpiperidin-4-yl)-5-fluoro-N-(1-phenylpyrazol-3-yl)thiophene-2-carboxamide has a molecular weight of 460.58 g/mol, XLogP of 5.38, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-5-fluoro-N-(1-phenylpyrazol-3-yl)thiophene-2-carboxamide is sourced from PubChem (CID 138584975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).