5-[1-(oxetan-3-yl)pyrazol-4-yl]-3-N-(1H-thieno[2,3-d]pyrazol-5-ylmethyl)pyrazine-2,3-diamine

C16H16N8OS — CID 139321473

IUPAC5-[1-(oxetan-3-yl)pyrazol-4-yl]-3-N-(1H-thieno[2,3-d]pyrazol-5-ylmethyl)pyrazine-2,3-diamine
SMILESNc1ncc(-c2cnn(C3COC3)c2)nc1NCc1cc2[nH]ncc2s1
InChIInChI=1S/C16H16N8OS/c17-15-16(19-3-11-1-12-14(26-11)5-20-23-12)22-13(4-18-15)9-2-21-24(6-9)10-7-25-8-10/h1-2,4-6,10H,3,7-8H2,(H2,17,18)(H,19,22)(H,20,23)
InChIKeyXLTVJRVMHCRHTD-UHFFFAOYSA-N
MW368.43 g/mol
LogP2.04
Rot. Bonds5

About 5-[1-(oxetan-3-yl)pyrazol-4-yl]-3-N-(1H-thieno[2,3-d]pyrazol-5-ylmethyl)pyrazine-2,3-diamine

5-[1-(oxetan-3-yl)pyrazol-4-yl]-3-N-(1H-thieno[2,3-d]pyrazol-5-ylmethyl)pyrazine-2,3-diamine (PubChem CID 139321473) has the molecular formula C16H16N8OS and a molecular weight of 368.43 g/mol. Its IUPAC name is 5-[1-(oxetan-3-yl)pyrazol-4-yl]-3-N-(1H-thieno[2,3-d]pyrazol-5-ylmethyl)pyrazine-2,3-diamine.

Molecular Properties

Compound Name5-[1-(oxetan-3-yl)pyrazol-4-yl]-3-N-(1H-thieno[2,3-d]pyrazol-5-ylmethyl)pyrazine-2,3-diamine
PubChem CID139321473
Molecular FormulaC16H16N8OS
Molecular Weight368.43 g/mol
Exact Mass368.12
IUPAC Name5-[1-(oxetan-3-yl)pyrazol-4-yl]-3-N-(1H-thieno[2,3-d]pyrazol-5-ylmethyl)pyrazine-2,3-diamine
SMILESNc1ncc(-c2cnn(C3COC3)c2)nc1NCc1cc2[nH]ncc2s1
InChIInChI=1S/C16H16N8OS/c17-15-16(19-3-11-1-12-14(26-11)5-20-23-12)22-13(4-18-15)9-2-21-24(6-9)10-7-25-8-10/h1-2,4-6,10H,3,7-8H2,(H2,17,18)(H,19,22)(H,20,23)
InChIKeyXLTVJRVMHCRHTD-UHFFFAOYSA-N
XLogP2.04
TPSA119.56 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Related Compounds

5-[1-(azetidin-3-yl)pyrazol-4-yl]-3-N-(1H-thieno[2,3-d]pyrazol-5-ylmethyl)pyrazine-2,3-diamine
CID 139321182
3-[amino(methyl)amino]-6-[1-(azetidin-3-yl)pyrazol-4-yl]-N-(1H-thieno[2,3-d]pyrazol-5-ylmethyl)pyrazin-2-amine
CID 139321181
5-(1-methylpyrazol-4-yl)-3-N-(thieno[3,2-c]pyridin-2-ylmethyl)pyrazine-2,3-diamine
CID 139321199
3-diazenyl-6-(1-piperidin-4-ylpyrazol-4-yl)-N-(thieno[3,2-c]pyridin-2-ylmethyl)pyrazin-2-amine
CID 139321238
3-N-[(E)-3-(4-methylsulfanyl-3-pyridinyl)prop-2-enyl]-5-[1-(oxan-4-yl)pyrazol-4-yl]pyrazine-2,3-diamine
CID 167146768
2-[1-(oxetan-3-yl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridine
CID 141485782
5-[[5-(1-propan-2-ylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]-1H-thieno[2,3-d]pyrazole
CID 53262676
5-[[7a-methyl-5-(1-piperidin-4-ylpyrazol-4-yl)-7H-triazolo[4,5-b]pyrazin-3-yl]methyl]-1H-thieno[2,3-d]pyrazole
CID 163502355
3-amino-6-(1-piperidin-4-ylpyrazol-4-yl)pyrazine-2-carboxylic acid
CID 163221724
4-(4-methylphenyl)-1-(oxetan-3-yl)pyrazole
CID 167820480
2-butan-2-yl-5-[1-(oxetan-3-yl)pyrazol-4-yl]-1,3-thiazole;ethane
CID 166087998
3-chloro-5-[1-(oxan-4-yl)pyrazol-4-yl]pyridin-2-amine
CID 166093962

Frequently Asked Questions

What is the IUPAC name of 5-[1-(oxetan-3-yl)pyrazol-4-yl]-3-N-(1H-thieno[2,3-d]pyrazol-5-ylmethyl)pyrazine-2,3-diamine?
The IUPAC name of 5-[1-(oxetan-3-yl)pyrazol-4-yl]-3-N-(1H-thieno[2,3-d]pyrazol-5-ylmethyl)pyrazine-2,3-diamine (CID 139321473) is 5-[1-(oxetan-3-yl)pyrazol-4-yl]-3-N-(1H-thieno[2,3-d]pyrazol-5-ylmethyl)pyrazine-2,3-diamine.
What is the SMILES notation for 5-[1-(oxetan-3-yl)pyrazol-4-yl]-3-N-(1H-thieno[2,3-d]pyrazol-5-ylmethyl)pyrazine-2,3-diamine?
The canonical SMILES for 5-[1-(oxetan-3-yl)pyrazol-4-yl]-3-N-(1H-thieno[2,3-d]pyrazol-5-ylmethyl)pyrazine-2,3-diamine is Nc1ncc(-c2cnn(C3COC3)c2)nc1NCc1cc2[nH]ncc2s1.
What is the InChIKey of 5-[1-(oxetan-3-yl)pyrazol-4-yl]-3-N-(1H-thieno[2,3-d]pyrazol-5-ylmethyl)pyrazine-2,3-diamine?
The InChIKey is XLTVJRVMHCRHTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N8OS/c17-15-16(19-3-11-1-12-14(26-11)5-20-23-12)22-13(4-18-15)9-2-21-24(6-9)10-7-25-8-10/h1-2,4-6,10H,3,7-8H2,(H2,17,18)(H,19,22)(H,20,23).
What are the key properties of 5-[1-(oxetan-3-yl)pyrazol-4-yl]-3-N-(1H-thieno[2,3-d]pyrazol-5-ylmethyl)pyrazine-2,3-diamine?
5-[1-(oxetan-3-yl)pyrazol-4-yl]-3-N-(1H-thieno[2,3-d]pyrazol-5-ylmethyl)pyrazine-2,3-diamine has a molecular weight of 368.43 g/mol, XLogP of 2.04, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(oxetan-3-yl)pyrazol-4-yl]-3-N-(1H-thieno[2,3-d]pyrazol-5-ylmethyl)pyrazine-2,3-diamine is sourced from PubChem (CID 139321473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).