N-(5-methyl-1H-pyrazol-3-yl)-2-[[2-(2-piperidin-1-ylethyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl]acetamide

C22H26N8OS — CID 126479086

IUPACN-(5-methyl-1H-pyrazol-3-yl)-2-[[2-(2-piperidin-1-ylethyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl]acetamide
SMILESCc1cc(NC(=O)CSc2nc3ccccc3c3nc(CCN4CCCCC4)nn23)n[nH]1
InChIInChI=1S/C22H26N8OS/c1-15-13-19(27-26-15)24-20(31)14-32-22-23-17-8-4-3-7-16(17)21-25-18(28-30(21)22)9-12-29-10-5-2-6-11-29/h3-4,7-8,13H,2,5-6,9-12,14H2,1H3,(H2,24,26,27,31)
InChIKeyJFIDKNISBOWRCJ-UHFFFAOYSA-N
MW450.57 g/mol
LogP3.07
Rot. Bonds7

About N-(5-methyl-1H-pyrazol-3-yl)-2-[[2-(2-piperidin-1-ylethyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl]acetamide

N-(5-methyl-1H-pyrazol-3-yl)-2-[[2-(2-piperidin-1-ylethyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl]acetamide (PubChem CID 126479086) has the molecular formula C22H26N8OS and a molecular weight of 450.57 g/mol. Its IUPAC name is N-(5-methyl-1H-pyrazol-3-yl)-2-[[2-(2-piperidin-1-ylethyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(5-methyl-1H-pyrazol-3-yl)-2-[[2-(2-piperidin-1-ylethyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl]acetamide
PubChem CID126479086
Molecular FormulaC22H26N8OS
Molecular Weight450.57 g/mol
Exact Mass450.20
IUPAC NameN-(5-methyl-1H-pyrazol-3-yl)-2-[[2-(2-piperidin-1-ylethyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl]acetamide
SMILESCc1cc(NC(=O)CSc2nc3ccccc3c3nc(CCN4CCCCC4)nn23)n[nH]1
InChIInChI=1S/C22H26N8OS/c1-15-13-19(27-26-15)24-20(31)14-32-22-23-17-8-4-3-7-16(17)21-25-18(28-30(21)22)9-12-29-10-5-2-6-11-29/h3-4,7-8,13H,2,5-6,9-12,14H2,1H3,(H2,24,26,27,31)
InChIKeyJFIDKNISBOWRCJ-UHFFFAOYSA-N
XLogP3.07
TPSA104.10 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.57
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-(5-methyl-1H-pyrazol-3-yl)-2-[[2-(2-piperidin-1-ylethyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl]acetamide with MolForge

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Related Compounds

2-[[2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl]-N-(5-methyl-1H-pyrazol-3-yl)acetamide
CID 4144028
1-phenyl-2-[[2-(2-piperidin-1-ylethyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl]ethanone
CID 4075040
N-(furan-2-ylmethyl)-2-[[2-(2-piperidin-1-ylethyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl]acetamide;hydrochloride
CID 126479090
2-(3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)acetamide
CID 126479001
2-[4-(cyclohexylamino)quinazolin-2-yl]sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)acetamide
CID 3656022
N-(4-bromo-2-fluorophenyl)-2-[[2-[2-(2-methylbenzimidazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl]acetamide
CID 4106445
2-[(2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]-N-(2,4,6-trimethylphenyl)acetamide
CID 3511067
N-(furan-2-ylmethyl)-4-[2-[2-[(5-methyl-1H-pyrazol-3-yl)amino]-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]butanamide
CID 3243076
ethyl 2-[[2-[2-(2-methylbenzimidazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl]acetate
CID 4295497
N-(2-methyl-6-propan-2-ylphenyl)-2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]acetamide
CID 46683994
2-[(3-methyl-2-oxo-[1,2,4]triazino[2,3-c]quinazolin-6-yl)sulfanyl]-N-(3-methylphenyl)acetamide
CID 47091823
N-(5-methyl-1H-pyrazol-3-yl)-2-[4-(oxolan-2-ylmethylamino)quinazolin-2-yl]sulfanylacetamide
CID 119103714

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1H-pyrazol-3-yl)-2-[[2-(2-piperidin-1-ylethyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl]acetamide?
The IUPAC name of N-(5-methyl-1H-pyrazol-3-yl)-2-[[2-(2-piperidin-1-ylethyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl]acetamide (CID 126479086) is N-(5-methyl-1H-pyrazol-3-yl)-2-[[2-(2-piperidin-1-ylethyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl]acetamide.
What is the SMILES notation for N-(5-methyl-1H-pyrazol-3-yl)-2-[[2-(2-piperidin-1-ylethyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl]acetamide?
The canonical SMILES for N-(5-methyl-1H-pyrazol-3-yl)-2-[[2-(2-piperidin-1-ylethyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl]acetamide is Cc1cc(NC(=O)CSc2nc3ccccc3c3nc(CCN4CCCCC4)nn23)n[nH]1.
What is the InChIKey of N-(5-methyl-1H-pyrazol-3-yl)-2-[[2-(2-piperidin-1-ylethyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl]acetamide?
The InChIKey is JFIDKNISBOWRCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N8OS/c1-15-13-19(27-26-15)24-20(31)14-32-22-23-17-8-4-3-7-16(17)21-25-18(28-30(21)22)9-12-29-10-5-2-6-11-29/h3-4,7-8,13H,2,5-6,9-12,14H2,1H3,(H2,24,26,27,31).
What are the key properties of N-(5-methyl-1H-pyrazol-3-yl)-2-[[2-(2-piperidin-1-ylethyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl]acetamide?
N-(5-methyl-1H-pyrazol-3-yl)-2-[[2-(2-piperidin-1-ylethyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl]acetamide has a molecular weight of 450.57 g/mol, XLogP of 3.07, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1H-pyrazol-3-yl)-2-[[2-(2-piperidin-1-ylethyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl]acetamide is sourced from PubChem (CID 126479086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).