8-(4-methylpiperazin-1-yl)-5-thiophen-2-yltetrazolo[1,5-a]pyrazine;8-(4-methylpiperazin-1-yl)-5-thiophen-3-yltetrazolo[1,5-a]pyrazine;N-methyl-1-(5-thiophen-2-yltetrazolo[1,5-a]pyrazin-8-yl)azetidin-3-amine;(3S)-N-methyl-1-(5-thiophen-2-yltetrazolo[1,5-a]pyrazin-8-yl)pyrrolidin-3-amine;8-piperidin-1-yl-5-thiophen-2-yltetrazolo[1,5-a]pyrazine;8-piperidin-1-yl-5-thiophen-3-yltetrazolo[1,5-a]pyrazine

C77H86N40S6 — CID 159907492

IUPAC8-(4-methylpiperazin-1-yl)-5-thiophen-2-yltetrazolo[1,5-a]pyrazine;8-(4-methylpiperazin-1-yl)-5-thiophen-3-yltetrazolo[1,5-a]pyrazine;N-methyl-1-(5-thiophen-2-yltetrazolo[1,5-a]pyrazin-8-yl)azetidin-3-amine;(3S)-N-methyl-1-(5-thiophen-2-yltetrazolo[1,5-a]pyrazin-8-yl)pyrrolidin-3-amine;8-piperidin-1-yl-5-thiophen-2-yltetrazolo[1,5-a]pyrazine;8-piperidin-1-yl-5-thiophen-3-yltetrazolo[1,5-a]pyrazine
SMILESCN1CCN(c2ncc(-c3cccs3)n3nnnc23)CC1.CN1CCN(c2ncc(-c3ccsc3)n3nnnc23)CC1.CNC1CN(c2ncc(-c3cccs3)n3nnnc23)C1.CN[C@H]1CCN(c2ncc(-c3cccs3)n3nnnc23)C1.c1cc(-c2cnc(N3CCCCC3)c3nnnn23)cs1.c1csc(-c2cnc(N3CCCCC3)c3nnnn23)c1
InChIInChI=1S/3C13H15N7S.2C13H14N6S.C12H13N7S/c1-18-3-5-19(6-4-18)12-13-15-16-17-20(13)11(8-14-12)10-2-7-21-9-10;1-18-4-6-19(7-5-18)12-13-15-16-17-20(13)10(9-14-12)11-3-2-8-21-11;1-14-9-4-5-19(8-9)12-13-16-17-18-20(13)10(7-15-12)11-3-2-6-21-11;1-2-6-18(7-3-1)12-13-15-16-17-19(13)10(9-14-12)11-5-4-8-20-11;1-2-5-18(6-3-1)12-13-15-16-17-19(13)11(8-14-12)10-4-7-20-9-10;1-13-8-6-18(7-8)11-12-15-16-17-19(12)9(5-14-11)10-3-2-4-20-10/h2,7-9H,3-6H2,1H3;2-3,8-9H,4-7H2,1H3;2-3,6-7,9,14H,4-5,8H2,1H3;4-5,8-9H,1-3,6-7H2;4,7-9H,1-3,5-6H2;2-5,8,13H,6-7H2,1H3/t;;9-;;;/m..0.../s1
InChIKeyNWTKTFZKMHGVGG-OWHQTKSJSA-N
MW1764.22 g/mol
LogP8.18
Rot. Bonds14

About 8-(4-methylpiperazin-1-yl)-5-thiophen-2-yltetrazolo[1,5-a]pyrazine;8-(4-methylpiperazin-1-yl)-5-thiophen-3-yltetrazolo[1,5-a]pyrazine;N-methyl-1-(5-thiophen-2-yltetrazolo[1,5-a]pyrazin-8-yl)azetidin-3-amine;(3S)-N-methyl-1-(5-thiophen-2-yltetrazolo[1,5-a]pyrazin-8-yl)pyrrolidin-3-amine;8-piperidin-1-yl-5-thiophen-2-yltetrazolo[1,5-a]pyrazine;8-piperidin-1-yl-5-thiophen-3-yltetrazolo[1,5-a]pyrazine

8-(4-methylpiperazin-1-yl)-5-thiophen-2-yltetrazolo[1,5-a]pyrazine;8-(4-methylpiperazin-1-yl)-5-thiophen-3-yltetrazolo[1,5-a]pyrazine;N-methyl-1-(5-thiophen-2-yltetrazolo[1,5-a]pyrazin-8-yl)azetidin-3-amine;(3S)-N-methyl-1-(5-thiophen-2-yltetrazolo[1,5-a]pyrazin-8-yl)pyrrolidin-3-amine;8-piperidin-1-yl-5-thiophen-2-yltetrazolo[1,5-a]pyrazine;8-piperidin-1-yl-5-thiophen-3-yltetrazolo[1,5-a]pyrazine (PubChem CID 159907492) has the molecular formula C77H86N40S6 and a molecular weight of 1764.22 g/mol. Its IUPAC name is 8-(4-methylpiperazin-1-yl)-5-thiophen-2-yltetrazolo[1,5-a]pyrazine;8-(4-methylpiperazin-1-yl)-5-thiophen-3-yltetrazolo[1,5-a]pyrazine;N-methyl-1-(5-thiophen-2-yltetrazolo[1,5-a]pyrazin-8-yl)azetidin-3-amine;(3S)-N-methyl-1-(5-thiophen-2-yltetrazolo[1,5-a]pyrazin-8-yl)pyrrolidin-3-amine;8-piperidin-1-yl-5-thiophen-2-yltetrazolo[1,5-a]pyrazine;8-piperidin-1-yl-5-thiophen-3-yltetrazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name8-(4-methylpiperazin-1-yl)-5-thiophen-2-yltetrazolo[1,5-a]pyrazine;8-(4-methylpiperazin-1-yl)-5-thiophen-3-yltetrazolo[1,5-a]pyrazine;N-methyl-1-(5-thiophen-2-yltetrazolo[1,5-a]pyrazin-8-yl)azetidin-3-amine;(3S)-N-methyl-1-(5-thiophen-2-yltetrazolo[1,5-a]pyrazin-8-yl)pyrrolidin-3-amine;8-piperidin-1-yl-5-thiophen-2-yltetrazolo[1,5-a]pyrazine;8-piperidin-1-yl-5-thiophen-3-yltetrazolo[1,5-a]pyrazine
PubChem CID159907492
Molecular FormulaC77H86N40S6
Molecular Weight1764.22 g/mol
Exact Mass1762.63
IUPAC Name8-(4-methylpiperazin-1-yl)-5-thiophen-2-yltetrazolo[1,5-a]pyrazine;8-(4-methylpiperazin-1-yl)-5-thiophen-3-yltetrazolo[1,5-a]pyrazine;N-methyl-1-(5-thiophen-2-yltetrazolo[1,5-a]pyrazin-8-yl)azetidin-3-amine;(3S)-N-methyl-1-(5-thiophen-2-yltetrazolo[1,5-a]pyrazin-8-yl)pyrrolidin-3-amine;8-piperidin-1-yl-5-thiophen-2-yltetrazolo[1,5-a]pyrazine;8-piperidin-1-yl-5-thiophen-3-yltetrazolo[1,5-a]pyrazine
SMILESCN1CCN(c2ncc(-c3cccs3)n3nnnc23)CC1.CN1CCN(c2ncc(-c3ccsc3)n3nnnc23)CC1.CNC1CN(c2ncc(-c3cccs3)n3nnnc23)C1.CN[C@H]1CCN(c2ncc(-c3cccs3)n3nnnc23)C1.c1cc(-c2cnc(N3CCCCC3)c3nnnn23)cs1.c1csc(-c2cnc(N3CCCCC3)c3nnnn23)c1
InChIInChI=1S/3C13H15N7S.2C13H14N6S.C12H13N7S/c1-18-3-5-19(6-4-18)12-13-15-16-17-20(13)11(8-14-12)10-2-7-21-9-10;1-18-4-6-19(7-5-18)12-13-15-16-17-20(13)10(9-14-12)11-3-2-8-21-11;1-14-9-4-5-19(8-9)12-13-16-17-18-20(13)10(7-15-12)11-3-2-6-21-11;1-2-6-18(7-3-1)12-13-15-16-17-19(13)10(9-14-12)11-5-4-8-20-11;1-2-5-18(6-3-1)12-13-15-16-17-19(13)11(8-14-12)10-4-7-20-9-10;1-13-8-6-18(7-8)11-12-15-16-17-19(12)9(5-14-11)10-3-2-4-20-10/h2,7-9H,3-6H2,1H3;2-3,8-9H,4-7H2,1H3;2-3,6-7,9,14H,4-5,8H2,1H3;4-5,8-9H,1-3,6-7H2;4,7-9H,1-3,5-6H2;2-5,8,13H,6-7H2,1H3/t;;9-;;;/m..0.../s1
InChIKeyNWTKTFZKMHGVGG-OWHQTKSJSA-N
XLogP8.18
TPSA385.80 Ų
H-Bond Donors2
H-Bond Acceptors46
Rotatable Bonds14
Heavy Atoms123
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001764.22
LogP ≤ 58.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1046

Analyze 8-(4-methylpiperazin-1-yl)-5-thiophen-2-yltetrazolo[1,5-a]pyrazine;8-(4-methylpiperazin-1-yl)-5-thiophen-3-yltetrazolo[1,5-a]pyrazine;N-methyl-1-(5-thiophen-2-yltetrazolo[1,5-a]pyrazin-8-yl)azetidin-3-amine;(3S)-N-methyl-1-(5-thiophen-2-yltetrazolo[1,5-a]pyrazin-8-yl)pyrrolidin-3-amine;8-piperidin-1-yl-5-thiophen-2-yltetrazolo[1,5-a]pyrazine;8-piperidin-1-yl-5-thiophen-3-yltetrazolo[1,5-a]pyrazine with MolForge

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Launch Full Analysis

Related Compounds

4-[5-(5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl)imidazo[1,2-c]pyrimidin-7-yl]-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 11339781
6-(1,2,3,4,4a,5,7,7a-Octahydropyrrolo[3,4-b]pyridin-6-yl)-3-pyridin-4-yl-2-thiophen-2-ylimidazo[1,2-b]pyridazine
CID 46244848
6-(1,2,3,4,4a,5,7,7a-Octahydropyrrolo[3,4-b]pyridin-6-yl)-3-pyridin-4-yl-2-thiophen-3-ylimidazo[1,2-b]pyridazine
CID 68763898
3-[(2,2-dimethylpiperidin-1-yl)methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;6-methyl-N-[5-(piperidin-1-ylmethyl)thiophen-2-yl]-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine;N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-(2-piperidin-1-ylethyl)-1,2-thiazol-5-amine
CID 123144823
7-[4-[2-[5-(2,3-dimethylimidazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]thiophen-2-yl]-5-(1,2,3,6-tetrahydropyridin-4-yl)-3-(4-thiophen-3-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridine
CID 137034005
3-[1-[[6-methyl-4-[[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-pyridinyl]methyl]pyrazol-4-yl]-N-(4-methylthiophen-2-yl)imidazo[1,2-a]pyrazin-8-amine
CID 143465129
5-[4-[3-[[5-(5-methylthiophen-2-yl)-2-[(3S)-piperidin-3-yl]imidazo[1,2-a]pyrazin-8-yl]amino]cyclohexa-1,3-dien-5-yn-1-yl]thiophen-2-yl]-2-[(3S)-piperidin-3-yl]imidazo[1,2-a]pyrazin-8-amine
CID 143594947
3-[4-(2,3-dihydrothiophen-4-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-pyridin-4-yl-1H-pyrazolo[3,4-c]pyridine;ethane;2-[5-(5-methyl-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-4-thiophen-3-yl-1H-imidazo[4,5-c]pyridine
CID 145034015
3-[7-(cyclopenten-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-piperidin-4-yl-1H-pyrazolo[3,4-c]pyridine;3-[7-(2,3-dihydrothiophen-4-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-pyridin-4-yl-1H-pyrazolo[3,4-c]pyridine;ethane;2-[5-(5-methyl-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-7-thiophen-3-yl-3H-imidazo[4,5-c]pyridine
CID 145037409
3-[7-(cyclopenten-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-(1H-pyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridine;ethane;2-(5-pyrazin-2-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-7-thiophen-3-yl-1H-imidazo[4,5-b]pyridine
CID 145037922
2-[5-[5-(cyclohexylmethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-(5-methylthiophen-2-yl)-1H-imidazo[4,5-b]pyridine;ethane;2-[5-(1-methylpyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-(5-methylthiophen-2-yl)-1H-imidazo[4,5-b]pyridine
CID 145037982
(3E,5E)-5-[3-[4-[(1Z)-1-(2,3-dihydrothiophen-4-yl)buta-1,3-dienyl]-5-methyl-1H-imidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-N,N-dimethylhepta-1,3,5-trien-3-amine;ethane;5-pyridin-3-yl-3-(5-thiophen-3-yl-1,4-dihydropyrido[2,3-d]pyrimidine-2-carboximidoyl)pyridin-2-amine
CID 145038452

Frequently Asked Questions

What is the IUPAC name of 8-(4-methylpiperazin-1-yl)-5-thiophen-2-yltetrazolo[1,5-a]pyrazine;8-(4-methylpiperazin-1-yl)-5-thiophen-3-yltetrazolo[1,5-a]pyrazine;N-methyl-1-(5-thiophen-2-yltetrazolo[1,5-a]pyrazin-8-yl)azetidin-3-amine;(3S)-N-methyl-1-(5-thiophen-2-yltetrazolo[1,5-a]pyrazin-8-yl)pyrrolidin-3-amine;8-piperidin-1-yl-5-thiophen-2-yltetrazolo[1,5-a]pyrazine;8-piperidin-1-yl-5-thiophen-3-yltetrazolo[1,5-a]pyrazine?
The IUPAC name of 8-(4-methylpiperazin-1-yl)-5-thiophen-2-yltetrazolo[1,5-a]pyrazine;8-(4-methylpiperazin-1-yl)-5-thiophen-3-yltetrazolo[1,5-a]pyrazine;N-methyl-1-(5-thiophen-2-yltetrazolo[1,5-a]pyrazin-8-yl)azetidin-3-amine;(3S)-N-methyl-1-(5-thiophen-2-yltetrazolo[1,5-a]pyrazin-8-yl)pyrrolidin-3-amine;8-piperidin-1-yl-5-thiophen-2-yltetrazolo[1,5-a]pyrazine;8-piperidin-1-yl-5-thiophen-3-yltetrazolo[1,5-a]pyrazine (CID 159907492) is 8-(4-methylpiperazin-1-yl)-5-thiophen-2-yltetrazolo[1,5-a]pyrazine;8-(4-methylpiperazin-1-yl)-5-thiophen-3-yltetrazolo[1,5-a]pyrazine;N-methyl-1-(5-thiophen-2-yltetrazolo[1,5-a]pyrazin-8-yl)azetidin-3-amine;(3S)-N-methyl-1-(5-thiophen-2-yltetrazolo[1,5-a]pyrazin-8-yl)pyrrolidin-3-amine;8-piperidin-1-yl-5-thiophen-2-yltetrazolo[1,5-a]pyrazine;8-piperidin-1-yl-5-thiophen-3-yltetrazolo[1,5-a]pyrazine.
What is the SMILES notation for 8-(4-methylpiperazin-1-yl)-5-thiophen-2-yltetrazolo[1,5-a]pyrazine;8-(4-methylpiperazin-1-yl)-5-thiophen-3-yltetrazolo[1,5-a]pyrazine;N-methyl-1-(5-thiophen-2-yltetrazolo[1,5-a]pyrazin-8-yl)azetidin-3-amine;(3S)-N-methyl-1-(5-thiophen-2-yltetrazolo[1,5-a]pyrazin-8-yl)pyrrolidin-3-amine;8-piperidin-1-yl-5-thiophen-2-yltetrazolo[1,5-a]pyrazine;8-piperidin-1-yl-5-thiophen-3-yltetrazolo[1,5-a]pyrazine?
The canonical SMILES for 8-(4-methylpiperazin-1-yl)-5-thiophen-2-yltetrazolo[1,5-a]pyrazine;8-(4-methylpiperazin-1-yl)-5-thiophen-3-yltetrazolo[1,5-a]pyrazine;N-methyl-1-(5-thiophen-2-yltetrazolo[1,5-a]pyrazin-8-yl)azetidin-3-amine;(3S)-N-methyl-1-(5-thiophen-2-yltetrazolo[1,5-a]pyrazin-8-yl)pyrrolidin-3-amine;8-piperidin-1-yl-5-thiophen-2-yltetrazolo[1,5-a]pyrazine;8-piperidin-1-yl-5-thiophen-3-yltetrazolo[1,5-a]pyrazine is CN1CCN(c2ncc(-c3cccs3)n3nnnc23)CC1.CN1CCN(c2ncc(-c3ccsc3)n3nnnc23)CC1.CNC1CN(c2ncc(-c3cccs3)n3nnnc23)C1.CN[C@H]1CCN(c2ncc(-c3cccs3)n3nnnc23)C1.c1cc(-c2cnc(N3CCCCC3)c3nnnn23)cs1.c1csc(-c2cnc(N3CCCCC3)c3nnnn23)c1.
What is the InChIKey of 8-(4-methylpiperazin-1-yl)-5-thiophen-2-yltetrazolo[1,5-a]pyrazine;8-(4-methylpiperazin-1-yl)-5-thiophen-3-yltetrazolo[1,5-a]pyrazine;N-methyl-1-(5-thiophen-2-yltetrazolo[1,5-a]pyrazin-8-yl)azetidin-3-amine;(3S)-N-methyl-1-(5-thiophen-2-yltetrazolo[1,5-a]pyrazin-8-yl)pyrrolidin-3-amine;8-piperidin-1-yl-5-thiophen-2-yltetrazolo[1,5-a]pyrazine;8-piperidin-1-yl-5-thiophen-3-yltetrazolo[1,5-a]pyrazine?
The InChIKey is NWTKTFZKMHGVGG-OWHQTKSJSA-N. The full InChI is InChI=1S/3C13H15N7S.2C13H14N6S.C12H13N7S/c1-18-3-5-19(6-4-18)12-13-15-16-17-20(13)11(8-14-12)10-2-7-21-9-10;1-18-4-6-19(7-5-18)12-13-15-16-17-20(13)10(9-14-12)11-3-2-8-21-11;1-14-9-4-5-19(8-9)12-13-16-17-18-20(13)10(7-15-12)11-3-2-6-21-11;1-2-6-18(7-3-1)12-13-15-16-17-19(13)10(9-14-12)11-5-4-8-20-11;1-2-5-18(6-3-1)12-13-15-16-17-19(13)11(8-14-12)10-4-7-20-9-10;1-13-8-6-18(7-8)11-12-15-16-17-19(12)9(5-14-11)10-3-2-4-20-10/h2,7-9H,3-6H2,1H3;2-3,8-9H,4-7H2,1H3;2-3,6-7,9,14H,4-5,8H2,1H3;4-5,8-9H,1-3,6-7H2;4,7-9H,1-3,5-6H2;2-5,8,13H,6-7H2,1H3/t;;9-;;;/m..0.../s1.
What are the key properties of 8-(4-methylpiperazin-1-yl)-5-thiophen-2-yltetrazolo[1,5-a]pyrazine;8-(4-methylpiperazin-1-yl)-5-thiophen-3-yltetrazolo[1,5-a]pyrazine;N-methyl-1-(5-thiophen-2-yltetrazolo[1,5-a]pyrazin-8-yl)azetidin-3-amine;(3S)-N-methyl-1-(5-thiophen-2-yltetrazolo[1,5-a]pyrazin-8-yl)pyrrolidin-3-amine;8-piperidin-1-yl-5-thiophen-2-yltetrazolo[1,5-a]pyrazine;8-piperidin-1-yl-5-thiophen-3-yltetrazolo[1,5-a]pyrazine?
8-(4-methylpiperazin-1-yl)-5-thiophen-2-yltetrazolo[1,5-a]pyrazine;8-(4-methylpiperazin-1-yl)-5-thiophen-3-yltetrazolo[1,5-a]pyrazine;N-methyl-1-(5-thiophen-2-yltetrazolo[1,5-a]pyrazin-8-yl)azetidin-3-amine;(3S)-N-methyl-1-(5-thiophen-2-yltetrazolo[1,5-a]pyrazin-8-yl)pyrrolidin-3-amine;8-piperidin-1-yl-5-thiophen-2-yltetrazolo[1,5-a]pyrazine;8-piperidin-1-yl-5-thiophen-3-yltetrazolo[1,5-a]pyrazine has a molecular weight of 1764.22 g/mol, XLogP of 8.18, 14 rotatable bonds, 2 hydrogen bond donors, and 46 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-methylpiperazin-1-yl)-5-thiophen-2-yltetrazolo[1,5-a]pyrazine;8-(4-methylpiperazin-1-yl)-5-thiophen-3-yltetrazolo[1,5-a]pyrazine;N-methyl-1-(5-thiophen-2-yltetrazolo[1,5-a]pyrazin-8-yl)azetidin-3-amine;(3S)-N-methyl-1-(5-thiophen-2-yltetrazolo[1,5-a]pyrazin-8-yl)pyrrolidin-3-amine;8-piperidin-1-yl-5-thiophen-2-yltetrazolo[1,5-a]pyrazine;8-piperidin-1-yl-5-thiophen-3-yltetrazolo[1,5-a]pyrazine is sourced from PubChem (CID 159907492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).