N-[1-[[1-methyl-3-(4-methyl-1,3-thiazol-5-yl)pyrazol-5-yl]methyl]piperidin-4-yl]-2-pyridin-3-ylacetamide

C21H26N6OS — CID 92598617

IUPACN-[1-[[1-methyl-3-(4-methyl-1,3-thiazol-5-yl)pyrazol-5-yl]methyl]piperidin-4-yl]-2-pyridin-3-ylacetamide
SMILESCc1ncsc1-c1cc(CN2CCC(NC(=O)Cc3cccnc3)CC2)n(C)n1
InChIInChI=1S/C21H26N6OS/c1-15-21(29-14-23-15)19-11-18(26(2)25-19)13-27-8-5-17(6-9-27)24-20(28)10-16-4-3-7-22-12-16/h3-4,7,11-12,14,17H,5-6,8-10,13H2,1-2H3,(H,24,28)
InChIKeyBOUFNEXHQDYHBL-UHFFFAOYSA-N
MW410.55 g/mol
LogP2.57
Rot. Bonds6

About N-[1-[[1-methyl-3-(4-methyl-1,3-thiazol-5-yl)pyrazol-5-yl]methyl]piperidin-4-yl]-2-pyridin-3-ylacetamide

N-[1-[[1-methyl-3-(4-methyl-1,3-thiazol-5-yl)pyrazol-5-yl]methyl]piperidin-4-yl]-2-pyridin-3-ylacetamide (PubChem CID 92598617) has the molecular formula C21H26N6OS and a molecular weight of 410.55 g/mol. Its IUPAC name is N-[1-[[1-methyl-3-(4-methyl-1,3-thiazol-5-yl)pyrazol-5-yl]methyl]piperidin-4-yl]-2-pyridin-3-ylacetamide.

Molecular Properties

Compound NameN-[1-[[1-methyl-3-(4-methyl-1,3-thiazol-5-yl)pyrazol-5-yl]methyl]piperidin-4-yl]-2-pyridin-3-ylacetamide
PubChem CID92598617
Molecular FormulaC21H26N6OS
Molecular Weight410.55 g/mol
Exact Mass410.19
IUPAC NameN-[1-[[1-methyl-3-(4-methyl-1,3-thiazol-5-yl)pyrazol-5-yl]methyl]piperidin-4-yl]-2-pyridin-3-ylacetamide
SMILESCc1ncsc1-c1cc(CN2CCC(NC(=O)Cc3cccnc3)CC2)n(C)n1
InChIInChI=1S/C21H26N6OS/c1-15-21(29-14-23-15)19-11-18(26(2)25-19)13-27-8-5-17(6-9-27)24-20(28)10-16-4-3-7-22-12-16/h3-4,7,11-12,14,17H,5-6,8-10,13H2,1-2H3,(H,24,28)
InChIKeyBOUFNEXHQDYHBL-UHFFFAOYSA-N
XLogP2.57
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.55
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[1-[[1-methyl-3-(4-methyl-1,3-thiazol-5-yl)pyrazol-5-yl]methyl]piperidin-4-yl]-2-pyridin-3-ylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-[[1-methyl-3-(4-methyl-1,3-thiazol-5-yl)pyrazol-5-yl]methyl]piperidin-4-yl]-2-pyridin-3-ylacetamide?
The IUPAC name of N-[1-[[1-methyl-3-(4-methyl-1,3-thiazol-5-yl)pyrazol-5-yl]methyl]piperidin-4-yl]-2-pyridin-3-ylacetamide (CID 92598617) is N-[1-[[1-methyl-3-(4-methyl-1,3-thiazol-5-yl)pyrazol-5-yl]methyl]piperidin-4-yl]-2-pyridin-3-ylacetamide.
What is the SMILES notation for N-[1-[[1-methyl-3-(4-methyl-1,3-thiazol-5-yl)pyrazol-5-yl]methyl]piperidin-4-yl]-2-pyridin-3-ylacetamide?
The canonical SMILES for N-[1-[[1-methyl-3-(4-methyl-1,3-thiazol-5-yl)pyrazol-5-yl]methyl]piperidin-4-yl]-2-pyridin-3-ylacetamide is Cc1ncsc1-c1cc(CN2CCC(NC(=O)Cc3cccnc3)CC2)n(C)n1.
What is the InChIKey of N-[1-[[1-methyl-3-(4-methyl-1,3-thiazol-5-yl)pyrazol-5-yl]methyl]piperidin-4-yl]-2-pyridin-3-ylacetamide?
The InChIKey is BOUFNEXHQDYHBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6OS/c1-15-21(29-14-23-15)19-11-18(26(2)25-19)13-27-8-5-17(6-9-27)24-20(28)10-16-4-3-7-22-12-16/h3-4,7,11-12,14,17H,5-6,8-10,13H2,1-2H3,(H,24,28).
What are the key properties of N-[1-[[1-methyl-3-(4-methyl-1,3-thiazol-5-yl)pyrazol-5-yl]methyl]piperidin-4-yl]-2-pyridin-3-ylacetamide?
N-[1-[[1-methyl-3-(4-methyl-1,3-thiazol-5-yl)pyrazol-5-yl]methyl]piperidin-4-yl]-2-pyridin-3-ylacetamide has a molecular weight of 410.55 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[1-methyl-3-(4-methyl-1,3-thiazol-5-yl)pyrazol-5-yl]methyl]piperidin-4-yl]-2-pyridin-3-ylacetamide is sourced from PubChem (CID 92598617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).