1-[4-[6-(5-amino-1,3,4-thiadiazol-2-yl)-2-phenylpyrido[2,3-b]pyrazin-3-yl]phenyl]-2-[4-[6-(5-methyl-1H-1,2,4-triazol-3-yl)-3-phenylpyrido[2,3-b]pyrazin-2-yl]phenyl]ethane-1,2-diamine

C45H34N14S — CID 90725213

IUPAC1-[4-[6-(5-amino-1,3,4-thiadiazol-2-yl)-2-phenylpyrido[2,3-b]pyrazin-3-yl]phenyl]-2-[4-[6-(5-methyl-1H-1,2,4-triazol-3-yl)-3-phenylpyrido[2,3-b]pyrazin-2-yl]phenyl]ethane-1,2-diamine
SMILESCc1nc(-c2ccc3nc(-c4ccc(C(N)C(N)c5ccc(-c6nc7nc(-c8nnc(N)s8)ccc7nc6-c6ccccc6)cc5)cc4)c(-c4ccccc4)nc3n2)n[nH]1
InChIInChI=1S/C45H34N14S/c1-24-49-43(57-56-24)33-21-20-31-41(52-33)54-39(28-10-6-3-7-11-28)38(51-31)29-16-12-25(13-17-29)35(46)36(47)26-14-18-30(19-15-26)40-37(27-8-4-2-5-9-27)50-32-22-23-34(53-42(32)55-40)44-58-59-45(48)60-44/h2-23,35-36H,46-47H2,1H3,(H2,48,59)(H,49,56,57)
InChIKeyALJFHAMDYCQCIV-UHFFFAOYSA-N
MW802.93 g/mol
LogP7.93
Rot. Bonds9

About 1-[4-[6-(5-amino-1,3,4-thiadiazol-2-yl)-2-phenylpyrido[2,3-b]pyrazin-3-yl]phenyl]-2-[4-[6-(5-methyl-1H-1,2,4-triazol-3-yl)-3-phenylpyrido[2,3-b]pyrazin-2-yl]phenyl]ethane-1,2-diamine

1-[4-[6-(5-amino-1,3,4-thiadiazol-2-yl)-2-phenylpyrido[2,3-b]pyrazin-3-yl]phenyl]-2-[4-[6-(5-methyl-1H-1,2,4-triazol-3-yl)-3-phenylpyrido[2,3-b]pyrazin-2-yl]phenyl]ethane-1,2-diamine (PubChem CID 90725213) has the molecular formula C45H34N14S and a molecular weight of 802.93 g/mol. Its IUPAC name is 1-[4-[6-(5-amino-1,3,4-thiadiazol-2-yl)-2-phenylpyrido[2,3-b]pyrazin-3-yl]phenyl]-2-[4-[6-(5-methyl-1H-1,2,4-triazol-3-yl)-3-phenylpyrido[2,3-b]pyrazin-2-yl]phenyl]ethane-1,2-diamine.

Molecular Properties

Compound Name1-[4-[6-(5-amino-1,3,4-thiadiazol-2-yl)-2-phenylpyrido[2,3-b]pyrazin-3-yl]phenyl]-2-[4-[6-(5-methyl-1H-1,2,4-triazol-3-yl)-3-phenylpyrido[2,3-b]pyrazin-2-yl]phenyl]ethane-1,2-diamine
PubChem CID90725213
Molecular FormulaC45H34N14S
Molecular Weight802.93 g/mol
Exact Mass802.28
IUPAC Name1-[4-[6-(5-amino-1,3,4-thiadiazol-2-yl)-2-phenylpyrido[2,3-b]pyrazin-3-yl]phenyl]-2-[4-[6-(5-methyl-1H-1,2,4-triazol-3-yl)-3-phenylpyrido[2,3-b]pyrazin-2-yl]phenyl]ethane-1,2-diamine
SMILESCc1nc(-c2ccc3nc(-c4ccc(C(N)C(N)c5ccc(-c6nc7nc(-c8nnc(N)s8)ccc7nc6-c6ccccc6)cc5)cc4)c(-c4ccccc4)nc3n2)n[nH]1
InChIInChI=1S/C45H34N14S/c1-24-49-43(57-56-24)33-21-20-31-41(52-33)54-39(28-10-6-3-7-11-28)38(51-31)29-16-12-25(13-17-29)35(46)36(47)26-14-18-30(19-15-26)40-37(27-8-4-2-5-9-27)50-32-22-23-34(53-42(32)55-40)44-58-59-45(48)60-44/h2-23,35-36H,46-47H2,1H3,(H2,48,59)(H,49,56,57)
InChIKeyALJFHAMDYCQCIV-UHFFFAOYSA-N
XLogP7.93
TPSA222.75 Ų
H-Bond Donors4
H-Bond Acceptors14
Rotatable Bonds9
Heavy Atoms60
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500802.93
LogP ≤ 57.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1014

Analyze 1-[4-[6-(5-amino-1,3,4-thiadiazol-2-yl)-2-phenylpyrido[2,3-b]pyrazin-3-yl]phenyl]-2-[4-[6-(5-methyl-1H-1,2,4-triazol-3-yl)-3-phenylpyrido[2,3-b]pyrazin-2-yl]phenyl]ethane-1,2-diamine with MolForge

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Related Compounds

6-(5-methyl-1H-1,2,4-triazol-3-yl)-2,3-diphenylpyrido[2,3-b]pyrazine
CID 173110678
[4-[6-(5-methyl-1H-1,2,4-triazol-3-yl)-3-phenylpyrido[2,3-b]pyrazin-2-yl]phenyl]methanamine
CID 67001793
[amino-[4-[6-(5-methyl-1H-1,2,4-triazol-3-yl)-2-phenylpyrido[2,3-b]pyrazin-3-yl]phenyl]methyl] 2,2,2-trifluoroacetate
CID 67001788
2-amino-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-2-phenylacetamide
CID 122157227
5-methyl-3-(4-phenoxyphenyl)-1H-1,2,4-triazole
CID 44516316
4-(4-phenylphenyl)-1,3-thiazole-2,5-diamine
CID 82342174
1-[6-(5-methyl-1H-1,2,4-triazol-3-yl)-3-pyridinyl]ethenol
CID 163670356
ethane;5-methyl-3-(4-methylphenyl)-1H-1,2,4-triazole
CID 143974565
2-[4-(6,7-dimethyl-3-phenylquinoxalin-2-yl)phenyl]-6,7-dimethyl-3-phenylquinoxaline
CID 58299261
[4-[5-(5-methyl-1H-1,2,4-triazol-3-yl)-3-phenyl-1,6-naphthyridin-2-yl]phenyl]methylazanium chloride
CID 87232560
3-[4-[4-(5,6-diphenyl-1,2,4-triazin-3-yl)phenyl]phenyl]-5,6-diphenyl-1,2,4-triazine;methane
CID 158126148
3-methyl-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-phenylbutan-1-amine
CID 64626731

Frequently Asked Questions

What is the IUPAC name of 1-[4-[6-(5-amino-1,3,4-thiadiazol-2-yl)-2-phenylpyrido[2,3-b]pyrazin-3-yl]phenyl]-2-[4-[6-(5-methyl-1H-1,2,4-triazol-3-yl)-3-phenylpyrido[2,3-b]pyrazin-2-yl]phenyl]ethane-1,2-diamine?
The IUPAC name of 1-[4-[6-(5-amino-1,3,4-thiadiazol-2-yl)-2-phenylpyrido[2,3-b]pyrazin-3-yl]phenyl]-2-[4-[6-(5-methyl-1H-1,2,4-triazol-3-yl)-3-phenylpyrido[2,3-b]pyrazin-2-yl]phenyl]ethane-1,2-diamine (CID 90725213) is 1-[4-[6-(5-amino-1,3,4-thiadiazol-2-yl)-2-phenylpyrido[2,3-b]pyrazin-3-yl]phenyl]-2-[4-[6-(5-methyl-1H-1,2,4-triazol-3-yl)-3-phenylpyrido[2,3-b]pyrazin-2-yl]phenyl]ethane-1,2-diamine.
What is the SMILES notation for 1-[4-[6-(5-amino-1,3,4-thiadiazol-2-yl)-2-phenylpyrido[2,3-b]pyrazin-3-yl]phenyl]-2-[4-[6-(5-methyl-1H-1,2,4-triazol-3-yl)-3-phenylpyrido[2,3-b]pyrazin-2-yl]phenyl]ethane-1,2-diamine?
The canonical SMILES for 1-[4-[6-(5-amino-1,3,4-thiadiazol-2-yl)-2-phenylpyrido[2,3-b]pyrazin-3-yl]phenyl]-2-[4-[6-(5-methyl-1H-1,2,4-triazol-3-yl)-3-phenylpyrido[2,3-b]pyrazin-2-yl]phenyl]ethane-1,2-diamine is Cc1nc(-c2ccc3nc(-c4ccc(C(N)C(N)c5ccc(-c6nc7nc(-c8nnc(N)s8)ccc7nc6-c6ccccc6)cc5)cc4)c(-c4ccccc4)nc3n2)n[nH]1.
What is the InChIKey of 1-[4-[6-(5-amino-1,3,4-thiadiazol-2-yl)-2-phenylpyrido[2,3-b]pyrazin-3-yl]phenyl]-2-[4-[6-(5-methyl-1H-1,2,4-triazol-3-yl)-3-phenylpyrido[2,3-b]pyrazin-2-yl]phenyl]ethane-1,2-diamine?
The InChIKey is ALJFHAMDYCQCIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H34N14S/c1-24-49-43(57-56-24)33-21-20-31-41(52-33)54-39(28-10-6-3-7-11-28)38(51-31)29-16-12-25(13-17-29)35(46)36(47)26-14-18-30(19-15-26)40-37(27-8-4-2-5-9-27)50-32-22-23-34(53-42(32)55-40)44-58-59-45(48)60-44/h2-23,35-36H,46-47H2,1H3,(H2,48,59)(H,49,56,57).
What are the key properties of 1-[4-[6-(5-amino-1,3,4-thiadiazol-2-yl)-2-phenylpyrido[2,3-b]pyrazin-3-yl]phenyl]-2-[4-[6-(5-methyl-1H-1,2,4-triazol-3-yl)-3-phenylpyrido[2,3-b]pyrazin-2-yl]phenyl]ethane-1,2-diamine?
1-[4-[6-(5-amino-1,3,4-thiadiazol-2-yl)-2-phenylpyrido[2,3-b]pyrazin-3-yl]phenyl]-2-[4-[6-(5-methyl-1H-1,2,4-triazol-3-yl)-3-phenylpyrido[2,3-b]pyrazin-2-yl]phenyl]ethane-1,2-diamine has a molecular weight of 802.93 g/mol, XLogP of 7.93, 9 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[6-(5-amino-1,3,4-thiadiazol-2-yl)-2-phenylpyrido[2,3-b]pyrazin-3-yl]phenyl]-2-[4-[6-(5-methyl-1H-1,2,4-triazol-3-yl)-3-phenylpyrido[2,3-b]pyrazin-2-yl]phenyl]ethane-1,2-diamine is sourced from PubChem (CID 90725213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).