N-[5-[[4-(2-pyrazolo[1,5-a]pyridin-5-ylethynyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide

C20H21N5OS — CID 177377656

IUPACN-[5-[[4-(2-pyrazolo[1,5-a]pyridin-5-ylethynyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(CN2CCC(C#Cc3ccn4nccc4c3)CC2)s1
InChIInChI=1S/C20H21N5OS/c1-15(26)23-20-21-13-19(27-20)14-24-9-5-16(6-10-24)2-3-17-7-11-25-18(12-17)4-8-22-25/h4,7-8,11-13,16H,5-6,9-10,14H2,1H3,(H,21,23,26)
InChIKeyHNGCFCGIQHMUER-UHFFFAOYSA-N
MW379.49 g/mol
LogP3.01
Rot. Bonds3

About N-[5-[[4-(2-pyrazolo[1,5-a]pyridin-5-ylethynyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide

N-[5-[[4-(2-pyrazolo[1,5-a]pyridin-5-ylethynyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 177377656) has the molecular formula C20H21N5OS and a molecular weight of 379.49 g/mol. Its IUPAC name is N-[5-[[4-(2-pyrazolo[1,5-a]pyridin-5-ylethynyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[[4-(2-pyrazolo[1,5-a]pyridin-5-ylethynyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID177377656
Molecular FormulaC20H21N5OS
Molecular Weight379.49 g/mol
Exact Mass379.15
IUPAC NameN-[5-[[4-(2-pyrazolo[1,5-a]pyridin-5-ylethynyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(CN2CCC(C#Cc3ccn4nccc4c3)CC2)s1
InChIInChI=1S/C20H21N5OS/c1-15(26)23-20-21-13-19(27-20)14-24-9-5-16(6-10-24)2-3-17-7-11-25-18(12-17)4-8-22-25/h4,7-8,11-13,16H,5-6,9-10,14H2,1H3,(H,21,23,26)
InChIKeyHNGCFCGIQHMUER-UHFFFAOYSA-N
XLogP3.01
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.49
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

Ihmt-trk-284
CID 156760472
N-[5-[[(3R)-3-[(2,6-dimethyl-4-pyridinyl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 135135317
N-[4-methyl-5-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 156760475
N-[4-methyl-5-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]-1,3-thiazol-2-yl]acetamide
CID 156760481
1-methyl-N-[4-methyl-5-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 156760483
2-(1-methylpiperidin-4-yl)-N-[4-methyl-5-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]-1,3-thiazol-2-yl]acetamide
CID 156760485
2-(4-methylpiperazin-1-yl)-N-[4-methyl-5-(3-pyridin-3-yl-1H-indazol-6-yl)-1,3-thiazol-2-yl]acetamide
CID 156760488
2-methyl-N-[4-methyl-5-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]-1,3-thiazol-2-yl]propanamide
CID 156760489
5-[1-(6-Piperazin-1-yl-2-pyridyl)pyrazolo[4,3-c]pyridin-6-yl]thiazole
CID 72715048
3-(1,3-diphenyl-1H-pyrazol-4-yl)-N-1,3-thiazol-2-ylacrylamide
CID 2173119
(E)-3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-N-(1,3-thiazol-2-yl)prop-2-enamide
CID 2360937
2-(5-tert-Butyl-[1,2,4]triazolo[4,3-c]quinazolin-3-ylsulfanyl)-N-thiazol-2-yl-acetamide
CID 3227422

Frequently Asked Questions

What is the IUPAC name of N-[5-[[4-(2-pyrazolo[1,5-a]pyridin-5-ylethynyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[5-[[4-(2-pyrazolo[1,5-a]pyridin-5-ylethynyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (CID 177377656) is N-[5-[[4-(2-pyrazolo[1,5-a]pyridin-5-ylethynyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-[[4-(2-pyrazolo[1,5-a]pyridin-5-ylethynyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[5-[[4-(2-pyrazolo[1,5-a]pyridin-5-ylethynyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1ncc(CN2CCC(C#Cc3ccn4nccc4c3)CC2)s1.
What is the InChIKey of N-[5-[[4-(2-pyrazolo[1,5-a]pyridin-5-ylethynyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is HNGCFCGIQHMUER-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5OS/c1-15(26)23-20-21-13-19(27-20)14-24-9-5-16(6-10-24)2-3-17-7-11-25-18(12-17)4-8-22-25/h4,7-8,11-13,16H,5-6,9-10,14H2,1H3,(H,21,23,26).
What are the key properties of N-[5-[[4-(2-pyrazolo[1,5-a]pyridin-5-ylethynyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
N-[5-[[4-(2-pyrazolo[1,5-a]pyridin-5-ylethynyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 379.49 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[4-(2-pyrazolo[1,5-a]pyridin-5-ylethynyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 177377656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).