5-(7-chloro-1H-indazol-5-yl)-3-(cyclobutylmethylsulfanyl)-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-3-(cyclopropylmethylsulfanyl)-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-3-[2-(diethylamino)ethylsulfanyl]-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-3-(1-methylpyrrol-3-yl)sulfanyl-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-6-phenyl-3-phenylsulfanylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-6-phenyl-3-pyridin-3-ylsulfanylpyrazin-2-amine

C133H111Cl6N33S6 — CID 159844438

About 5-(7-chloro-1H-indazol-5-yl)-3-(cyclobutylmethylsulfanyl)-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-3-(cyclopropylmethylsulfanyl)-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-3-[2-(diethylamino)ethylsulfanyl]-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-3-(1-methylpyrrol-3-yl)sulfanyl-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-6-phenyl-3-phenylsulfanylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-6-phenyl-3-pyridin-3-ylsulfanylpyrazin-2-amine

5-(7-chloro-1H-indazol-5-yl)-3-(cyclobutylmethylsulfanyl)-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-3-(cyclopropylmethylsulfanyl)-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-3-[2-(diethylamino)ethylsulfanyl]-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-3-(1-methylpyrrol-3-yl)sulfanyl-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-6-phenyl-3-phenylsulfanylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-6-phenyl-3-pyridin-3-ylsulfanylpyrazin-2-amine (PubChem CID 159844438) has the molecular formula C133H111Cl6N33S6 and a molecular weight of 2576.70 g/mol. Its IUPAC name is 5-(7-chloro-1H-indazol-5-yl)-3-(cyclobutylmethylsulfanyl)-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-3-(cyclopropylmethylsulfanyl)-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-3-[2-(diethylamino)ethylsulfanyl]-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-3-(1-methylpyrrol-3-yl)sulfanyl-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-6-phenyl-3-phenylsulfanylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-6-phenyl-3-pyridin-3-ylsulfanylpyrazin-2-amine.

Molecular Properties

• Compound Name: 5-(7-chloro-1H-indazol-5-yl)-3-(cyclobutylmethylsulfanyl)-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-3-(cyclopropylmethylsulfanyl)-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-3-[2-(diethylamino)ethylsulfanyl]-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-3-(1-methylpyrrol-3-yl)sulfanyl-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-6-phenyl-3-phenylsulfanylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-6-phenyl-3-pyridin-3-ylsulfanylpyrazin-2-amine
• PubChem CID: 159844438
• Molecular Formula: C133H111Cl6N33S6
• Molecular Weight: 2576.70 g/mol
• Exact Mass: 2571.62
• IUPAC Name: 5-(7-chloro-1H-indazol-5-yl)-3-(cyclobutylmethylsulfanyl)-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-3-(cyclopropylmethylsulfanyl)-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-3-[2-(diethylamino)ethylsulfanyl]-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-3-(1-methylpyrrol-3-yl)sulfanyl-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-6-phenyl-3-phenylsulfanylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-6-phenyl-3-pyridin-3-ylsulfanylpyrazin-2-amine
• SMILES: CCN(CC)CCSc1nc(-c2cc(Cl)c3[nH]ncc3c2)c(-c2ccccc2)nc1N.Cn1ccc(Sc2nc(-c3cc(Cl)c4[nH]ncc4c3)c(-c3ccccc3)nc2N)c1.Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3[nH]ncc3c2)nc1SCC1CC1.Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3[nH]ncc3c2)nc1SCC1CCC1.Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3[nH]ncc3c2)nc1Sc1ccccc1.Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3[nH]ncc3c2)nc1Sc1cccnc1
• InChI: InChI=1S/C23H25ClN6S.C23H16ClN5S.C22H17ClN6S.C22H15ClN6S.C22H20ClN5S.C21H18ClN5S/c1-3-30(4-2)10-11-31-23-22(25)27-20(15-8-6-5-7-9-15)21(28-23)16-12-17-14-26-29-19(17)18(24)13-16;24-18-12-15(11-16-13-26-29-19(16)18)21-20(14-7-3-1-4-8-14)27-22(25)23(28-21)30-17-9-5-2-6-10-17;1-29-8-7-16(12-29)30-22-21(24)26-19(13-5-3-2-4-6-13)20(27-22)14-9-15-11-25-28-18(15)17(23)10-14;23-17-10-14(9-15-11-26-29-18(15)17)20-19(13-5-2-1-3-6-13)27-21(24)22(28-20)30-16-7-4-8-25-12-16;23-17-10-15(9-16-11-25-28-18(16)17)20-19(14-7-2-1-3-8-14)26-21(24)22(27-20)29-12-13-5-4-6-13;22-16-9-14(8-15-10-24-27-17(15)16)19-18(13-4-2-1-3-5-13)25-20(23)21(26-19)28-11-12-6-7-12/h5-9,12-14H,3-4,10-11H2,1-2H3,(H2,25,27)(H,26,29);1-13H,(H2,25,27)(H,26,29);2-12H,1H3,(H2,24,26)(H,25,28);1-12H,(H2,24,27)(H,26,29);1-3,7-11,13H,4-6,12H2,(H2,24,26)(H,25,28);1-5,8-10,12H,6-7,11H2,(H2,23,25)(H,24,27)
• InChIKey: NPCQIZXOUHDTCQ-UHFFFAOYSA-N
• XLogP: 33.55
• TPSA: 503.94 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 33
• Rotatable Bonds: 30
• Heavy Atoms: 178
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2576.70
LogP ≤ 5	33.55
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	33

Frequently Asked Questions

What is the IUPAC name of 5-(7-chloro-1H-indazol-5-yl)-3-(cyclobutylmethylsulfanyl)-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-3-(cyclopropylmethylsulfanyl)-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-3-[2-(diethylamino)ethylsulfanyl]-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-3-(1-methylpyrrol-3-yl)sulfanyl-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-6-phenyl-3-phenylsulfanylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-6-phenyl-3-pyridin-3-ylsulfanylpyrazin-2-amine?

The IUPAC name of 5-(7-chloro-1H-indazol-5-yl)-3-(cyclobutylmethylsulfanyl)-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-3-(cyclopropylmethylsulfanyl)-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-3-[2-(diethylamino)ethylsulfanyl]-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-3-(1-methylpyrrol-3-yl)sulfanyl-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-6-phenyl-3-phenylsulfanylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-6-phenyl-3-pyridin-3-ylsulfanylpyrazin-2-amine (CID 159844438) is 5-(7-chloro-1H-indazol-5-yl)-3-(cyclobutylmethylsulfanyl)-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-3-(cyclopropylmethylsulfanyl)-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-3-[2-(diethylamino)ethylsulfanyl]-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-3-(1-methylpyrrol-3-yl)sulfanyl-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-6-phenyl-3-phenylsulfanylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-6-phenyl-3-pyridin-3-ylsulfanylpyrazin-2-amine.

What is the SMILES notation for 5-(7-chloro-1H-indazol-5-yl)-3-(cyclobutylmethylsulfanyl)-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-3-(cyclopropylmethylsulfanyl)-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-3-[2-(diethylamino)ethylsulfanyl]-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-3-(1-methylpyrrol-3-yl)sulfanyl-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-6-phenyl-3-phenylsulfanylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-6-phenyl-3-pyridin-3-ylsulfanylpyrazin-2-amine?

The canonical SMILES for 5-(7-chloro-1H-indazol-5-yl)-3-(cyclobutylmethylsulfanyl)-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-3-(cyclopropylmethylsulfanyl)-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-3-[2-(diethylamino)ethylsulfanyl]-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-3-(1-methylpyrrol-3-yl)sulfanyl-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-6-phenyl-3-phenylsulfanylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-6-phenyl-3-pyridin-3-ylsulfanylpyrazin-2-amine is CCN(CC)CCSc1nc(-c2cc(Cl)c3[nH]ncc3c2)c(-c2ccccc2)nc1N.Cn1ccc(Sc2nc(-c3cc(Cl)c4[nH]ncc4c3)c(-c3ccccc3)nc2N)c1.Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3[nH]ncc3c2)nc1SCC1CC1.Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3[nH]ncc3c2)nc1SCC1CCC1.Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3[nH]ncc3c2)nc1Sc1ccccc1.Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3[nH]ncc3c2)nc1Sc1cccnc1.

What is the InChIKey of 5-(7-chloro-1H-indazol-5-yl)-3-(cyclobutylmethylsulfanyl)-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-3-(cyclopropylmethylsulfanyl)-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-3-[2-(diethylamino)ethylsulfanyl]-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-3-(1-methylpyrrol-3-yl)sulfanyl-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-6-phenyl-3-phenylsulfanylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-6-phenyl-3-pyridin-3-ylsulfanylpyrazin-2-amine?

The InChIKey is NPCQIZXOUHDTCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN6S.C23H16ClN5S.C22H17ClN6S.C22H15ClN6S.C22H20ClN5S.C21H18ClN5S/c1-3-30(4-2)10-11-31-23-22(25)27-20(15-8-6-5-7-9-15)21(28-23)16-12-17-14-26-29-19(17)18(24)13-16;24-18-12-15(11-16-13-26-29-19(16)18)21-20(14-7-3-1-4-8-14)27-22(25)23(28-21)30-17-9-5-2-6-10-17;1-29-8-7-16(12-29)30-22-21(24)26-19(13-5-3-2-4-6-13)20(27-22)14-9-15-11-25-28-18(15)17(23)10-14;23-17-10-14(9-15-11-26-29-18(15)17)20-19(13-5-2-1-3-6-13)27-21(24)22(28-20)30-16-7-4-8-25-12-16;23-17-10-15(9-16-11-25-28-18(16)17)20-19(14-7-2-1-3-8-14)26-21(24)22(27-20)29-12-13-5-4-6-13;22-16-9-14(8-15-10-24-27-17(15)16)19-18(13-4-2-1-3-5-13)25-20(23)21(26-19)28-11-12-6-7-12/h5-9,12-14H,3-4,10-11H2,1-2H3,(H2,25,27)(H,26,29);1-13H,(H2,25,27)(H,26,29);2-12H,1H3,(H2,24,26)(H,25,28);1-12H,(H2,24,27)(H,26,29);1-3,7-11,13H,4-6,12H2,(H2,24,26)(H,25,28);1-5,8-10,12H,6-7,11H2,(H2,23,25)(H,24,27).

What are the key properties of 5-(7-chloro-1H-indazol-5-yl)-3-(cyclobutylmethylsulfanyl)-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-3-(cyclopropylmethylsulfanyl)-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-3-[2-(diethylamino)ethylsulfanyl]-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-3-(1-methylpyrrol-3-yl)sulfanyl-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-6-phenyl-3-phenylsulfanylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-6-phenyl-3-pyridin-3-ylsulfanylpyrazin-2-amine?

5-(7-chloro-1H-indazol-5-yl)-3-(cyclobutylmethylsulfanyl)-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-3-(cyclopropylmethylsulfanyl)-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-3-[2-(diethylamino)ethylsulfanyl]-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-3-(1-methylpyrrol-3-yl)sulfanyl-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-6-phenyl-3-phenylsulfanylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-6-phenyl-3-pyridin-3-ylsulfanylpyrazin-2-amine has a molecular weight of 2576.70 g/mol, XLogP of 33.55, 30 rotatable bonds, 12 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(7-chloro-1H-indazol-5-yl)-3-(cyclobutylmethylsulfanyl)-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-3-(cyclopropylmethylsulfanyl)-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-3-[2-(diethylamino)ethylsulfanyl]-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-3-(1-methylpyrrol-3-yl)sulfanyl-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-6-phenyl-3-phenylsulfanylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-6-phenyl-3-pyridin-3-ylsulfanylpyrazin-2-amine is sourced from PubChem (CID 159844438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).