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

C19H22N10S — CID 163502355

IUPAC5-[[7a-methyl-5-(1-piperidin-4-ylpyrazol-4-yl)-7H-triazolo[4,5-b]pyrazin-3-yl]methyl]-1H-thieno[2,3-d]pyrazole
SMILESCC12N=NN(Cc3cc4[nH]ncc4s3)C1=NC(c1cnn(C3CCNCC3)c1)=CN2
InChIInChI=1S/C19H22N10S/c1-19-18(29(27-26-19)11-14-6-15-17(30-14)9-22-25-15)24-16(8-21-19)12-7-23-28(10-12)13-2-4-20-5-3-13/h6-10,13,20-21H,2-5,11H2,1H3,(H,22,25)
InChIKeyCVVJYHCFMYWAAG-UHFFFAOYSA-N
MW422.52 g/mol
LogP2.64
Rot. Bonds4

About 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

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 (PubChem CID 163502355) has the molecular formula C19H22N10S and a molecular weight of 422.52 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-[[7a-methyl-5-(1-piperidin-4-ylpyrazol-4-yl)-7H-triazolo[4,5-b]pyrazin-3-yl]methyl]-1H-thieno[2,3-d]pyrazole
PubChem CID163502355
Molecular FormulaC19H22N10S
Molecular Weight422.52 g/mol
Exact Mass422.17
IUPAC Name5-[[7a-methyl-5-(1-piperidin-4-ylpyrazol-4-yl)-7H-triazolo[4,5-b]pyrazin-3-yl]methyl]-1H-thieno[2,3-d]pyrazole
SMILESCC12N=NN(Cc3cc4[nH]ncc4s3)C1=NC(c1cnn(C3CCNCC3)c1)=CN2
InChIInChI=1S/C19H22N10S/c1-19-18(29(27-26-19)11-14-6-15-17(30-14)9-22-25-15)24-16(8-21-19)12-7-23-28(10-12)13-2-4-20-5-3-13/h6-10,13,20-21H,2-5,11H2,1H3,(H,22,25)
InChIKeyCVVJYHCFMYWAAG-UHFFFAOYSA-N
XLogP2.64
TPSA110.88 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.52
LogP ≤ 52.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze 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 with MolForge

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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-(oxetan-3-yl)pyrazol-4-yl]-3-N-(1H-thieno[2,3-d]pyrazol-5-ylmethyl)pyrazine-2,3-diamine
CID 139321473
4-[4-(4-methyl-1,3-dioxetan-2-yl)pyrazol-1-yl]piperidine
CID 70903493
3-[(2-methylphenyl)methoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridine
CID 175975741
2-(1-piperidin-4-ylpyrazol-4-yl)propan-1-amine
CID 105462321
5-[[5-(1-propan-2-ylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]-1H-thieno[2,3-d]pyrazole
CID 53262676
3-(5-fluoro-6-methyl-1H-benzimidazol-2-yl)-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine
CID 123430712
3-[2-(3-fluoro-2,6-dimethylphenyl)ethyl]-5-(1-piperidin-4-ylpyrazol-4-yl)-N-prop-1-en-2-ylpyridin-2-amine
CID 144556507
4-(4-chloropyrazol-1-yl)piperidine;hydrochloride
CID 71758511
2-(1H-indol-5-yl)-4-(1-piperidin-4-ylpyrazol-4-yl)furo[2,3-c]pyridin-7-amine
CID 53377856
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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC12N=NN(Cc3cc4[nH]ncc4s3)C1=NC(c1cnn(C3CCNCC3)c1)=CN2.
What is the InChIKey of 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?
The InChIKey is CVVJYHCFMYWAAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N10S/c1-19-18(29(27-26-19)11-14-6-15-17(30-14)9-22-25-15)24-16(8-21-19)12-7-23-28(10-12)13-2-4-20-5-3-13/h6-10,13,20-21H,2-5,11H2,1H3,(H,22,25).
What are the key properties of 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?
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 has a molecular weight of 422.52 g/mol, XLogP of 2.64, 4 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 163502355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).