2-[3-(4-fluorophenyl)-5-piperidin-4-yl-1H-pyrazol-4-yl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide

C24H23FN6OS — CID 11962923

IUPAC2-[3-(4-fluorophenyl)-5-piperidin-4-yl-1H-pyrazol-4-yl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide
SMILESO=C(NCc1cccnc1)c1csc(-c2c(-c3ccc(F)cc3)n[nH]c2C2CCNCC2)n1
InChIInChI=1S/C24H23FN6OS/c25-18-5-3-16(4-6-18)21-20(22(31-30-21)17-7-10-26-11-8-17)24-29-19(14-33-24)23(32)28-13-15-2-1-9-27-12-15/h1-6,9,12,14,17,26H,7-8,10-11,13H2,(H,28,32)(H,30,31)
InChIKeyUWRKAANMWPLQBC-UHFFFAOYSA-N
MW462.55 g/mol
LogP4.13
Rot. Bonds6

About 2-[3-(4-fluorophenyl)-5-piperidin-4-yl-1H-pyrazol-4-yl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide

2-[3-(4-fluorophenyl)-5-piperidin-4-yl-1H-pyrazol-4-yl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide (PubChem CID 11962923) has the molecular formula C24H23FN6OS and a molecular weight of 462.55 g/mol. Its IUPAC name is 2-[3-(4-fluorophenyl)-5-piperidin-4-yl-1H-pyrazol-4-yl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[3-(4-fluorophenyl)-5-piperidin-4-yl-1H-pyrazol-4-yl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide
PubChem CID11962923
Molecular FormulaC24H23FN6OS
Molecular Weight462.55 g/mol
Exact Mass462.16
IUPAC Name2-[3-(4-fluorophenyl)-5-piperidin-4-yl-1H-pyrazol-4-yl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide
SMILESO=C(NCc1cccnc1)c1csc(-c2c(-c3ccc(F)cc3)n[nH]c2C2CCNCC2)n1
InChIInChI=1S/C24H23FN6OS/c25-18-5-3-16(4-6-18)21-20(22(31-30-21)17-7-10-26-11-8-17)24-29-19(14-33-24)23(32)28-13-15-2-1-9-27-12-15/h1-6,9,12,14,17,26H,7-8,10-11,13H2,(H,28,32)(H,30,31)
InChIKeyUWRKAANMWPLQBC-UHFFFAOYSA-N
XLogP4.13
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.55
LogP ≤ 54.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-fluorophenyl)-5-piperidin-4-yl-1H-pyrazol-4-yl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[3-(4-fluorophenyl)-5-piperidin-4-yl-1H-pyrazol-4-yl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide (CID 11962923) is 2-[3-(4-fluorophenyl)-5-piperidin-4-yl-1H-pyrazol-4-yl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[3-(4-fluorophenyl)-5-piperidin-4-yl-1H-pyrazol-4-yl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[3-(4-fluorophenyl)-5-piperidin-4-yl-1H-pyrazol-4-yl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide is O=C(NCc1cccnc1)c1csc(-c2c(-c3ccc(F)cc3)n[nH]c2C2CCNCC2)n1.
What is the InChIKey of 2-[3-(4-fluorophenyl)-5-piperidin-4-yl-1H-pyrazol-4-yl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide?
The InChIKey is UWRKAANMWPLQBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN6OS/c25-18-5-3-16(4-6-18)21-20(22(31-30-21)17-7-10-26-11-8-17)24-29-19(14-33-24)23(32)28-13-15-2-1-9-27-12-15/h1-6,9,12,14,17,26H,7-8,10-11,13H2,(H,28,32)(H,30,31).
What are the key properties of 2-[3-(4-fluorophenyl)-5-piperidin-4-yl-1H-pyrazol-4-yl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide?
2-[3-(4-fluorophenyl)-5-piperidin-4-yl-1H-pyrazol-4-yl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide has a molecular weight of 462.55 g/mol, XLogP of 4.13, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-fluorophenyl)-5-piperidin-4-yl-1H-pyrazol-4-yl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 11962923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).