2-(4-chloro-1H-indol-7-yl)-N-(1,2-dimethylpiperidin-4-yl)-N-methyl-[1,3]thiazolo[5,4-d][1,3]thiazol-5-amine;5-[(2S,4S)-2-methylpiperidin-4-yl]oxy-2-[4-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-c]pyridin-7-yl]-[1,3]thiazolo[5,4-d][1,3]thiazole;N-methyl-N-(1-propan-2-ylpiperidin-4-yl)-2-[4-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-c]pyridin-7-yl]-[1,3]thiazolo[5,4-d][1,3]thiazol-5-amine

C63H67ClN20OS6 — CID 163989294

About 2-(4-chloro-1H-indol-7-yl)-N-(1,2-dimethylpiperidin-4-yl)-N-methyl-[1,3]thiazolo[5,4-d][1,3]thiazol-5-amine;5-[(2S,4S)-2-methylpiperidin-4-yl]oxy-2-[4-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-c]pyridin-7-yl]-[1,3]thiazolo[5,4-d][1,3]thiazole;N-methyl-N-(1-propan-2-ylpiperidin-4-yl)-2-[4-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-c]pyridin-7-yl]-[1,3]thiazolo[5,4-d][1,3]thiazol-5-amine

2-(4-chloro-1H-indol-7-yl)-N-(1,2-dimethylpiperidin-4-yl)-N-methyl-[1,3]thiazolo[5,4-d][1,3]thiazol-5-amine;5-[(2S,4S)-2-methylpiperidin-4-yl]oxy-2-[4-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-c]pyridin-7-yl]-[1,3]thiazolo[5,4-d][1,3]thiazole;N-methyl-N-(1-propan-2-ylpiperidin-4-yl)-2-[4-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-c]pyridin-7-yl]-[1,3]thiazolo[5,4-d][1,3]thiazol-5-amine (PubChem CID 163989294) has the molecular formula C63H67ClN20OS6 and a molecular weight of 1348.22 g/mol. Its IUPAC name is 2-(4-chloro-1H-indol-7-yl)-N-(1,2-dimethylpiperidin-4-yl)-N-methyl-[1,3]thiazolo[5,4-d][1,3]thiazol-5-amine;5-[(2S,4S)-2-methylpiperidin-4-yl]oxy-2-[4-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-c]pyridin-7-yl]-[1,3]thiazolo[5,4-d][1,3]thiazole;N-methyl-N-(1-propan-2-ylpiperidin-4-yl)-2-[4-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-c]pyridin-7-yl]-[1,3]thiazolo[5,4-d][1,3]thiazol-5-amine.

Molecular Properties

• Compound Name: 2-(4-chloro-1H-indol-7-yl)-N-(1,2-dimethylpiperidin-4-yl)-N-methyl-[1,3]thiazolo[5,4-d][1,3]thiazol-5-amine;5-[(2S,4S)-2-methylpiperidin-4-yl]oxy-2-[4-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-c]pyridin-7-yl]-[1,3]thiazolo[5,4-d][1,3]thiazole;N-methyl-N-(1-propan-2-ylpiperidin-4-yl)-2-[4-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-c]pyridin-7-yl]-[1,3]thiazolo[5,4-d][1,3]thiazol-5-amine
• PubChem CID: 163989294
• Molecular Formula: C63H67ClN20OS6
• Molecular Weight: 1348.22 g/mol
• Exact Mass: 1346.38
• IUPAC Name: 2-(4-chloro-1H-indol-7-yl)-N-(1,2-dimethylpiperidin-4-yl)-N-methyl-[1,3]thiazolo[5,4-d][1,3]thiazol-5-amine;5-[(2S,4S)-2-methylpiperidin-4-yl]oxy-2-[4-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-c]pyridin-7-yl]-[1,3]thiazolo[5,4-d][1,3]thiazole;N-methyl-N-(1-propan-2-ylpiperidin-4-yl)-2-[4-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-c]pyridin-7-yl]-[1,3]thiazolo[5,4-d][1,3]thiazol-5-amine
• SMILES: CC(C)N1CCC(N(C)c2nc3sc(-c4ncc(-c5cn[nH]c5)c5cc[nH]c45)nc3s2)CC1.CC1CC(N(C)c2nc3sc(-c4ccc(Cl)c5cc[nH]c45)nc3s2)CCN1C.C[C@H]1C[C@@H](Oc2nc3sc(-c4ncc(-c5cn[nH]c5)c5cc[nH]c45)nc3s2)CCN1
• InChI: InChI=1S/C23H26N8S2.C20H22ClN5S2.C20H19N7OS2/c1-13(2)31-8-5-15(6-9-31)30(3)23-29-22-21(33-23)28-20(32-22)19-18-16(4-7-24-18)17(12-25-19)14-10-26-27-11-14;1-11-10-12(7-9-25(11)2)26(3)20-24-19-18(28-20)23-17(27-19)14-4-5-15(21)13-6-8-22-16(13)14;1-10-6-12(2-4-21-10)28-20-27-19-18(30-20)26-17(29-19)16-15-13(3-5-22-15)14(9-23-16)11-7-24-25-8-11/h4,7,10-13,15,24H,5-6,8-9H2,1-3H3,(H,26,27);4-6,8,11-12,22H,7,9-10H2,1-3H3;3,5,7-10,12,21-22H,2,4,6H2,1H3,(H,24,25)/t;;10-,12-/m..0/s1
• InChIKey: TZEFYJIGLZNDQK-ALVGMXCGSA-N
• XLogP: 14.67
• TPSA: 242.07 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 22
• Rotatable Bonds: 12
• Heavy Atoms: 91
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1348.22
LogP ≤ 5	14.67
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-1H-indol-7-yl)-N-(1,2-dimethylpiperidin-4-yl)-N-methyl-[1,3]thiazolo[5,4-d][1,3]thiazol-5-amine;5-[(2S,4S)-2-methylpiperidin-4-yl]oxy-2-[4-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-c]pyridin-7-yl]-[1,3]thiazolo[5,4-d][1,3]thiazole;N-methyl-N-(1-propan-2-ylpiperidin-4-yl)-2-[4-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-c]pyridin-7-yl]-[1,3]thiazolo[5,4-d][1,3]thiazol-5-amine?

The IUPAC name of 2-(4-chloro-1H-indol-7-yl)-N-(1,2-dimethylpiperidin-4-yl)-N-methyl-[1,3]thiazolo[5,4-d][1,3]thiazol-5-amine;5-[(2S,4S)-2-methylpiperidin-4-yl]oxy-2-[4-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-c]pyridin-7-yl]-[1,3]thiazolo[5,4-d][1,3]thiazole;N-methyl-N-(1-propan-2-ylpiperidin-4-yl)-2-[4-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-c]pyridin-7-yl]-[1,3]thiazolo[5,4-d][1,3]thiazol-5-amine (CID 163989294) is 2-(4-chloro-1H-indol-7-yl)-N-(1,2-dimethylpiperidin-4-yl)-N-methyl-[1,3]thiazolo[5,4-d][1,3]thiazol-5-amine;5-[(2S,4S)-2-methylpiperidin-4-yl]oxy-2-[4-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-c]pyridin-7-yl]-[1,3]thiazolo[5,4-d][1,3]thiazole;N-methyl-N-(1-propan-2-ylpiperidin-4-yl)-2-[4-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-c]pyridin-7-yl]-[1,3]thiazolo[5,4-d][1,3]thiazol-5-amine.

What is the SMILES notation for 2-(4-chloro-1H-indol-7-yl)-N-(1,2-dimethylpiperidin-4-yl)-N-methyl-[1,3]thiazolo[5,4-d][1,3]thiazol-5-amine;5-[(2S,4S)-2-methylpiperidin-4-yl]oxy-2-[4-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-c]pyridin-7-yl]-[1,3]thiazolo[5,4-d][1,3]thiazole;N-methyl-N-(1-propan-2-ylpiperidin-4-yl)-2-[4-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-c]pyridin-7-yl]-[1,3]thiazolo[5,4-d][1,3]thiazol-5-amine?

The canonical SMILES for 2-(4-chloro-1H-indol-7-yl)-N-(1,2-dimethylpiperidin-4-yl)-N-methyl-[1,3]thiazolo[5,4-d][1,3]thiazol-5-amine;5-[(2S,4S)-2-methylpiperidin-4-yl]oxy-2-[4-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-c]pyridin-7-yl]-[1,3]thiazolo[5,4-d][1,3]thiazole;N-methyl-N-(1-propan-2-ylpiperidin-4-yl)-2-[4-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-c]pyridin-7-yl]-[1,3]thiazolo[5,4-d][1,3]thiazol-5-amine is CC(C)N1CCC(N(C)c2nc3sc(-c4ncc(-c5cn[nH]c5)c5cc[nH]c45)nc3s2)CC1.CC1CC(N(C)c2nc3sc(-c4ccc(Cl)c5cc[nH]c45)nc3s2)CCN1C.C[C@H]1C[C@@H](Oc2nc3sc(-c4ncc(-c5cn[nH]c5)c5cc[nH]c45)nc3s2)CCN1.

What is the InChIKey of 2-(4-chloro-1H-indol-7-yl)-N-(1,2-dimethylpiperidin-4-yl)-N-methyl-[1,3]thiazolo[5,4-d][1,3]thiazol-5-amine;5-[(2S,4S)-2-methylpiperidin-4-yl]oxy-2-[4-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-c]pyridin-7-yl]-[1,3]thiazolo[5,4-d][1,3]thiazole;N-methyl-N-(1-propan-2-ylpiperidin-4-yl)-2-[4-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-c]pyridin-7-yl]-[1,3]thiazolo[5,4-d][1,3]thiazol-5-amine?

The InChIKey is TZEFYJIGLZNDQK-ALVGMXCGSA-N. The full InChI is InChI=1S/C23H26N8S2.C20H22ClN5S2.C20H19N7OS2/c1-13(2)31-8-5-15(6-9-31)30(3)23-29-22-21(33-23)28-20(32-22)19-18-16(4-7-24-18)17(12-25-19)14-10-26-27-11-14;1-11-10-12(7-9-25(11)2)26(3)20-24-19-18(28-20)23-17(27-19)14-4-5-15(21)13-6-8-22-16(13)14;1-10-6-12(2-4-21-10)28-20-27-19-18(30-20)26-17(29-19)16-15-13(3-5-22-15)14(9-23-16)11-7-24-25-8-11/h4,7,10-13,15,24H,5-6,8-9H2,1-3H3,(H,26,27);4-6,8,11-12,22H,7,9-10H2,1-3H3;3,5,7-10,12,21-22H,2,4,6H2,1H3,(H,24,25)/t;;10-,12-/m..0/s1.

What are the key properties of 2-(4-chloro-1H-indol-7-yl)-N-(1,2-dimethylpiperidin-4-yl)-N-methyl-[1,3]thiazolo[5,4-d][1,3]thiazol-5-amine;5-[(2S,4S)-2-methylpiperidin-4-yl]oxy-2-[4-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-c]pyridin-7-yl]-[1,3]thiazolo[5,4-d][1,3]thiazole;N-methyl-N-(1-propan-2-ylpiperidin-4-yl)-2-[4-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-c]pyridin-7-yl]-[1,3]thiazolo[5,4-d][1,3]thiazol-5-amine?

2-(4-chloro-1H-indol-7-yl)-N-(1,2-dimethylpiperidin-4-yl)-N-methyl-[1,3]thiazolo[5,4-d][1,3]thiazol-5-amine;5-[(2S,4S)-2-methylpiperidin-4-yl]oxy-2-[4-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-c]pyridin-7-yl]-[1,3]thiazolo[5,4-d][1,3]thiazole;N-methyl-N-(1-propan-2-ylpiperidin-4-yl)-2-[4-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-c]pyridin-7-yl]-[1,3]thiazolo[5,4-d][1,3]thiazol-5-amine has a molecular weight of 1348.22 g/mol, XLogP of 14.67, 12 rotatable bonds, 6 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-chloro-1H-indol-7-yl)-N-(1,2-dimethylpiperidin-4-yl)-N-methyl-[1,3]thiazolo[5,4-d][1,3]thiazol-5-amine;5-[(2S,4S)-2-methylpiperidin-4-yl]oxy-2-[4-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-c]pyridin-7-yl]-[1,3]thiazolo[5,4-d][1,3]thiazole;N-methyl-N-(1-propan-2-ylpiperidin-4-yl)-2-[4-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-c]pyridin-7-yl]-[1,3]thiazolo[5,4-d][1,3]thiazol-5-amine is sourced from PubChem (CID 163989294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).