N-(2-hydroxyethyl)-3-(5-thieno[3,2-d]pyrimidin-4-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)propanamide

C17H20N6O2S — CID 70735391

IUPACN-(2-hydroxyethyl)-3-(5-thieno[3,2-d]pyrimidin-4-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)propanamide
SMILESO=C(CCc1cc2n(n1)CCN(c1ncnc3ccsc13)C2)NCCO
InChIInChI=1S/C17H20N6O2S/c24-7-4-18-15(25)2-1-12-9-13-10-22(5-6-23(13)21-12)17-16-14(3-8-26-16)19-11-20-17/h3,8-9,11,24H,1-2,4-7,10H2,(H,18,25)
InChIKeyUXGHTPUCCOXWGQ-UHFFFAOYSA-N
MW372.45 g/mol
LogP0.95
Rot. Bonds6

About N-(2-hydroxyethyl)-3-(5-thieno[3,2-d]pyrimidin-4-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)propanamide

N-(2-hydroxyethyl)-3-(5-thieno[3,2-d]pyrimidin-4-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)propanamide (PubChem CID 70735391) has the molecular formula C17H20N6O2S and a molecular weight of 372.45 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-3-(5-thieno[3,2-d]pyrimidin-4-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)propanamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-3-(5-thieno[3,2-d]pyrimidin-4-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)propanamide
PubChem CID70735391
Molecular FormulaC17H20N6O2S
Molecular Weight372.45 g/mol
Exact Mass372.14
IUPAC NameN-(2-hydroxyethyl)-3-(5-thieno[3,2-d]pyrimidin-4-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)propanamide
SMILESO=C(CCc1cc2n(n1)CCN(c1ncnc3ccsc13)C2)NCCO
InChIInChI=1S/C17H20N6O2S/c24-7-4-18-15(25)2-1-12-9-13-10-22(5-6-23(13)21-12)17-16-14(3-8-26-16)19-11-20-17/h3,8-9,11,24H,1-2,4-7,10H2,(H,18,25)
InChIKeyUXGHTPUCCOXWGQ-UHFFFAOYSA-N
XLogP0.95
TPSA96.17 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

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1-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)propan-1-one
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3-[5-(1-benzofuran-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-N-(2-hydroxyethyl)propanamide
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N-methyl-2-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)acetamide
CID 47130003
2-ethyl-1-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)butan-1-one
CID 110873231
N-butyl-1-thieno[3,2-d]pyrimidin-4-ylpiperidine-4-carboxamide
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CID 119884627
2-(2-methoxyethylamino)-1-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)ethanone
CID 119884684
4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)thieno[3,2-d]pyrimidine
CID 24607532
3-[5-(6-piperidin-1-ylpyrimidin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanoic acid
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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-3-(5-thieno[3,2-d]pyrimidin-4-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)propanamide?
The IUPAC name of N-(2-hydroxyethyl)-3-(5-thieno[3,2-d]pyrimidin-4-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)propanamide (CID 70735391) is N-(2-hydroxyethyl)-3-(5-thieno[3,2-d]pyrimidin-4-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)propanamide.
What is the SMILES notation for N-(2-hydroxyethyl)-3-(5-thieno[3,2-d]pyrimidin-4-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)propanamide?
The canonical SMILES for N-(2-hydroxyethyl)-3-(5-thieno[3,2-d]pyrimidin-4-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)propanamide is O=C(CCc1cc2n(n1)CCN(c1ncnc3ccsc13)C2)NCCO.
What is the InChIKey of N-(2-hydroxyethyl)-3-(5-thieno[3,2-d]pyrimidin-4-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)propanamide?
The InChIKey is UXGHTPUCCOXWGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O2S/c24-7-4-18-15(25)2-1-12-9-13-10-22(5-6-23(13)21-12)17-16-14(3-8-26-16)19-11-20-17/h3,8-9,11,24H,1-2,4-7,10H2,(H,18,25).
What are the key properties of N-(2-hydroxyethyl)-3-(5-thieno[3,2-d]pyrimidin-4-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)propanamide?
N-(2-hydroxyethyl)-3-(5-thieno[3,2-d]pyrimidin-4-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)propanamide has a molecular weight of 372.45 g/mol, XLogP of 0.95, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-3-(5-thieno[3,2-d]pyrimidin-4-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)propanamide is sourced from PubChem (CID 70735391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).