[3-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)azetidin-1-yl]-(1,3-thiazol-4-yl)methanone

C13H12N6OS — CID 95845535

IUPAC[3-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)azetidin-1-yl]-(1,3-thiazol-4-yl)methanone
SMILESCn1nc(C2CN(C(=O)c3cscn3)C2)c2nccnc21
InChIInChI=1S/C13H12N6OS/c1-18-12-11(14-2-3-15-12)10(17-18)8-4-19(5-8)13(20)9-6-21-7-16-9/h2-3,6-8H,4-5H2,1H3
InChIKeyFTXAQDPINDDYAY-UHFFFAOYSA-N
MW300.35 g/mol
LogP1.06
Rot. Bonds2

About [3-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)azetidin-1-yl]-(1,3-thiazol-4-yl)methanone

[3-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)azetidin-1-yl]-(1,3-thiazol-4-yl)methanone (PubChem CID 95845535) has the molecular formula C13H12N6OS and a molecular weight of 300.35 g/mol. Its IUPAC name is [3-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)azetidin-1-yl]-(1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name[3-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)azetidin-1-yl]-(1,3-thiazol-4-yl)methanone
PubChem CID95845535
Molecular FormulaC13H12N6OS
Molecular Weight300.35 g/mol
Exact Mass300.08
IUPAC Name[3-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)azetidin-1-yl]-(1,3-thiazol-4-yl)methanone
SMILESCn1nc(C2CN(C(=O)c3cscn3)C2)c2nccnc21
InChIInChI=1S/C13H12N6OS/c1-18-12-11(14-2-3-15-12)10(17-18)8-4-19(5-8)13(20)9-6-21-7-16-9/h2-3,6-8H,4-5H2,1H3
InChIKeyFTXAQDPINDDYAY-UHFFFAOYSA-N
XLogP1.06
TPSA76.80 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1,3-Thiazol-4-yl-[4-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-1-yl]methanone
CID 16670869
1,3-Thiazol-4-yl-[3-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone
CID 16670087
[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 118667114
N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-1,3-thiazole-4-carboxamide
CID 62045495
N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]imidazo[1,2-b]pyridazine-3-carboxamide
CID 70771830
1,3-thiazol-4-yl-[(3R)-3-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone
CID 92417976
1,3-thiazol-4-yl-[(3S)-3-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone
CID 92417977
[4-(2H-pyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 95811502
[(3R)-3-(2H-pyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 95811507
[(3S)-3-(2H-pyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 95811508
[3-(1-Methylpyrazolo[3,4-b]pyrazin-3-yl)azetidin-1-yl]-pyrazin-2-ylmethanone
CID 95845101
N-[[4-(2H-pyrazolo[3,4-b]pyrazin-3-yl)cyclohexyl]methyl]-1,3-thiazole-4-carboxamide
CID 98074526

Frequently Asked Questions

What is the IUPAC name of [3-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)azetidin-1-yl]-(1,3-thiazol-4-yl)methanone?
The IUPAC name of [3-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)azetidin-1-yl]-(1,3-thiazol-4-yl)methanone (CID 95845535) is [3-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)azetidin-1-yl]-(1,3-thiazol-4-yl)methanone.
What is the SMILES notation for [3-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)azetidin-1-yl]-(1,3-thiazol-4-yl)methanone?
The canonical SMILES for [3-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)azetidin-1-yl]-(1,3-thiazol-4-yl)methanone is Cn1nc(C2CN(C(=O)c3cscn3)C2)c2nccnc21.
What is the InChIKey of [3-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)azetidin-1-yl]-(1,3-thiazol-4-yl)methanone?
The InChIKey is FTXAQDPINDDYAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N6OS/c1-18-12-11(14-2-3-15-12)10(17-18)8-4-19(5-8)13(20)9-6-21-7-16-9/h2-3,6-8H,4-5H2,1H3.
What are the key properties of [3-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)azetidin-1-yl]-(1,3-thiazol-4-yl)methanone?
[3-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)azetidin-1-yl]-(1,3-thiazol-4-yl)methanone has a molecular weight of 300.35 g/mol, XLogP of 1.06, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)azetidin-1-yl]-(1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 95845535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).