2-(1-methylindol-3-yl)sulfanyl-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)acetamide

C18H17N5OS — CID 119069253

IUPAC2-(1-methylindol-3-yl)sulfanyl-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)acetamide
SMILESCn1cc(SCC(=O)NCc2cnn3cccnc23)c2ccccc21
InChIInChI=1S/C18H17N5OS/c1-22-11-16(14-5-2-3-6-15(14)22)25-12-17(24)20-9-13-10-21-23-8-4-7-19-18(13)23/h2-8,10-11H,9,12H2,1H3,(H,20,24)
InChIKeyQJTAREPWIGUVMK-UHFFFAOYSA-N
MW351.44 g/mol
LogP2.63
Rot. Bonds5

About 2-(1-methylindol-3-yl)sulfanyl-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)acetamide

2-(1-methylindol-3-yl)sulfanyl-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)acetamide (PubChem CID 119069253) has the molecular formula C18H17N5OS and a molecular weight of 351.44 g/mol. Its IUPAC name is 2-(1-methylindol-3-yl)sulfanyl-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(1-methylindol-3-yl)sulfanyl-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)acetamide
PubChem CID119069253
Molecular FormulaC18H17N5OS
Molecular Weight351.44 g/mol
Exact Mass351.12
IUPAC Name2-(1-methylindol-3-yl)sulfanyl-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)acetamide
SMILESCn1cc(SCC(=O)NCc2cnn3cccnc23)c2ccccc21
InChIInChI=1S/C18H17N5OS/c1-22-11-16(14-5-2-3-6-15(14)22)25-12-17(24)20-9-13-10-21-23-8-4-7-19-18(13)23/h2-8,10-11H,9,12H2,1H3,(H,20,24)
InChIKeyQJTAREPWIGUVMK-UHFFFAOYSA-N
XLogP2.63
TPSA64.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.44
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3R)-3-(4-methoxyphenyl)-3-phenyl-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)propanamide
CID 97282762
2-(1-methylindol-3-yl)sulfanyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]acetamide
CID 119071282
4,4,4-trifluoro-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)butanamide
CID 86286976
N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)-2-quinazolin-4-yloxyacetamide
CID 90653539
3-amino-3-(3,4-dimethoxyphenyl)-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)propanamide
CID 91832531
2-(5-phenyltetrazol-2-yl)-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)acetamide
CID 90648596
2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)acetamide
CID 90653515
2-(dimethylamino)-2-(4-fluorophenyl)-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)acetamide
CID 72860295
2-(dimethylamino)-2-(2-methylphenyl)-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)acetamide
CID 72841553
2-oxo-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)-1H-quinoline-4-carboxamide
CID 72860863
N-methyl-1-pyrazolo[1,5-a]pyrimidin-3-ylmethanamine
CID 83873099
N-benzyl-2-(1-propylindol-3-yl)sulfanylacetamide
CID 5163816

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylindol-3-yl)sulfanyl-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)acetamide?
The IUPAC name of 2-(1-methylindol-3-yl)sulfanyl-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)acetamide (CID 119069253) is 2-(1-methylindol-3-yl)sulfanyl-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)acetamide.
What is the SMILES notation for 2-(1-methylindol-3-yl)sulfanyl-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)acetamide?
The canonical SMILES for 2-(1-methylindol-3-yl)sulfanyl-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)acetamide is Cn1cc(SCC(=O)NCc2cnn3cccnc23)c2ccccc21.
What is the InChIKey of 2-(1-methylindol-3-yl)sulfanyl-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)acetamide?
The InChIKey is QJTAREPWIGUVMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5OS/c1-22-11-16(14-5-2-3-6-15(14)22)25-12-17(24)20-9-13-10-21-23-8-4-7-19-18(13)23/h2-8,10-11H,9,12H2,1H3,(H,20,24).
What are the key properties of 2-(1-methylindol-3-yl)sulfanyl-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)acetamide?
2-(1-methylindol-3-yl)sulfanyl-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)acetamide has a molecular weight of 351.44 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylindol-3-yl)sulfanyl-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)acetamide is sourced from PubChem (CID 119069253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).