4-(4-fluorophenyl)-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]-1H-pyrrole-2-carboxamide

C23H22FN5OS — CID 91818062

IUPAC4-(4-fluorophenyl)-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]-1H-pyrrole-2-carboxamide
SMILESO=C(NC1CCN(c2cc(-c3cccs3)[nH]n2)CC1)c1cc(-c2ccc(F)cc2)c[nH]1
InChIInChI=1S/C23H22FN5OS/c24-17-5-3-15(4-6-17)16-12-20(25-14-16)23(30)26-18-7-9-29(10-8-18)22-13-19(27-28-22)21-2-1-11-31-21/h1-6,11-14,18,25H,7-10H2,(H,26,30)(H,27,28)
InChIKeyLVIXZMKPZQWQIQ-UHFFFAOYSA-N
MW435.53 g/mol
LogP4.67
Rot. Bonds5

About 4-(4-fluorophenyl)-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]-1H-pyrrole-2-carboxamide

4-(4-fluorophenyl)-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]-1H-pyrrole-2-carboxamide (PubChem CID 91818062) has the molecular formula C23H22FN5OS and a molecular weight of 435.53 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-(4-fluorophenyl)-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]-1H-pyrrole-2-carboxamide
PubChem CID91818062
Molecular FormulaC23H22FN5OS
Molecular Weight435.53 g/mol
Exact Mass435.15
IUPAC Name4-(4-fluorophenyl)-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]-1H-pyrrole-2-carboxamide
SMILESO=C(NC1CCN(c2cc(-c3cccs3)[nH]n2)CC1)c1cc(-c2ccc(F)cc2)c[nH]1
InChIInChI=1S/C23H22FN5OS/c24-17-5-3-15(4-6-17)16-12-20(25-14-16)23(30)26-18-7-9-29(10-8-18)22-13-19(27-28-22)21-2-1-11-31-21/h1-6,11-14,18,25H,7-10H2,(H,26,30)(H,27,28)
InChIKeyLVIXZMKPZQWQIQ-UHFFFAOYSA-N
XLogP4.67
TPSA76.81 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.53
LogP ≤ 54.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-N-[(3R)-1-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrrolidin-3-yl]benzamide
CID 99741667
2-methylsulfanyl-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]benzamide
CID 91632025
2-(4-fluorophenyl)-N-[(3S)-1-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrrolidin-3-yl]acetamide
CID 99741748
N-[(3S)-1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]thiophene-2-carboxamide
CID 99741546
N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-4-yl]benzamide
CID 75528231
N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 91818068
6-methoxy-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]-1H-indole-2-carboxamide
CID 91818060
4-ethoxy-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]benzamide
CID 75528390
(1R)-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]cyclohex-3-ene-1-carboxamide
CID 100744723
3-pyrazol-1-yl-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]benzamide
CID 91818067
(2R)-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]oxolane-2-carboxamide
CID 100745102
4-chloro-N-[(3S)-1-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrrolidin-3-yl]benzamide
CID 99741662

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-(4-fluorophenyl)-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]-1H-pyrrole-2-carboxamide (CID 91818062) is 4-(4-fluorophenyl)-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-(4-fluorophenyl)-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-(4-fluorophenyl)-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]-1H-pyrrole-2-carboxamide is O=C(NC1CCN(c2cc(-c3cccs3)[nH]n2)CC1)c1cc(-c2ccc(F)cc2)c[nH]1.
What is the InChIKey of 4-(4-fluorophenyl)-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]-1H-pyrrole-2-carboxamide?
The InChIKey is LVIXZMKPZQWQIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN5OS/c24-17-5-3-15(4-6-17)16-12-20(25-14-16)23(30)26-18-7-9-29(10-8-18)22-13-19(27-28-22)21-2-1-11-31-21/h1-6,11-14,18,25H,7-10H2,(H,26,30)(H,27,28).
What are the key properties of 4-(4-fluorophenyl)-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]-1H-pyrrole-2-carboxamide?
4-(4-fluorophenyl)-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]-1H-pyrrole-2-carboxamide has a molecular weight of 435.53 g/mol, XLogP of 4.67, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 91818062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).