2-[[4-[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]methyl]-1,3-thiazole

C23H22ClN5S — CID 22953813

IUPAC2-[[4-[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]methyl]-1,3-thiazole
SMILESClc1ccc(-c2n[nH]c(C3CCN(Cc4nccs4)CC3)c2-c2ccncc2)cc1
InChIInChI=1S/C23H22ClN5S/c24-19-3-1-17(2-4-19)22-21(16-5-9-25-10-6-16)23(28-27-22)18-7-12-29(13-8-18)15-20-26-11-14-30-20/h1-6,9-11,14,18H,7-8,12-13,15H2,(H,27,28)
InChIKeyMCDBKPKWHSTIGP-UHFFFAOYSA-N
MW435.98 g/mol
LogP5.63
Rot. Bonds5

About 2-[[4-[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]methyl]-1,3-thiazole

2-[[4-[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]methyl]-1,3-thiazole (PubChem CID 22953813) has the molecular formula C23H22ClN5S and a molecular weight of 435.98 g/mol. Its IUPAC name is 2-[[4-[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[[4-[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]methyl]-1,3-thiazole
PubChem CID22953813
Molecular FormulaC23H22ClN5S
Molecular Weight435.98 g/mol
Exact Mass435.13
IUPAC Name2-[[4-[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]methyl]-1,3-thiazole
SMILESClc1ccc(-c2n[nH]c(C3CCN(Cc4nccs4)CC3)c2-c2ccncc2)cc1
InChIInChI=1S/C23H22ClN5S/c24-19-3-1-17(2-4-19)22-21(16-5-9-25-10-6-16)23(28-27-22)18-7-12-29(13-8-18)15-20-26-11-14-30-20/h1-6,9-11,14,18H,7-8,12-13,15H2,(H,27,28)
InChIKeyMCDBKPKWHSTIGP-UHFFFAOYSA-N
XLogP5.63
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.98
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]methyl]-1,3-thiazole?
The IUPAC name of 2-[[4-[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]methyl]-1,3-thiazole (CID 22953813) is 2-[[4-[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 2-[[4-[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]methyl]-1,3-thiazole?
The canonical SMILES for 2-[[4-[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]methyl]-1,3-thiazole is Clc1ccc(-c2n[nH]c(C3CCN(Cc4nccs4)CC3)c2-c2ccncc2)cc1.
What is the InChIKey of 2-[[4-[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]methyl]-1,3-thiazole?
The InChIKey is MCDBKPKWHSTIGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN5S/c24-19-3-1-17(2-4-19)22-21(16-5-9-25-10-6-16)23(28-27-22)18-7-12-29(13-8-18)15-20-26-11-14-30-20/h1-6,9-11,14,18H,7-8,12-13,15H2,(H,27,28).
What are the key properties of 2-[[4-[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]methyl]-1,3-thiazole?
2-[[4-[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]methyl]-1,3-thiazole has a molecular weight of 435.98 g/mol, XLogP of 5.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 22953813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).