N-(2-ethyl-4,5,6,7-tetrahydroindazol-3-yl)-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine;4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-N-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)-1,3-thiazol-2-amine

C43H48N14O2S2 — CID 158379428

About N-(2-ethyl-4,5,6,7-tetrahydroindazol-3-yl)-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine;4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-N-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)-1,3-thiazol-2-amine

N-(2-ethyl-4,5,6,7-tetrahydroindazol-3-yl)-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine;4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-N-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)-1,3-thiazol-2-amine (PubChem CID 158379428) has the molecular formula C43H48N14O2S2 and a molecular weight of 857.09 g/mol. Its IUPAC name is N-(2-ethyl-4,5,6,7-tetrahydroindazol-3-yl)-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine;4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-N-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)-1,3-thiazol-2-amine.

Molecular Properties

• Compound Name: N-(2-ethyl-4,5,6,7-tetrahydroindazol-3-yl)-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine;4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-N-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)-1,3-thiazol-2-amine
• PubChem CID: 158379428
• Molecular Formula: C43H48N14O2S2
• Molecular Weight: 857.09 g/mol
• Exact Mass: 856.35
• IUPAC Name: N-(2-ethyl-4,5,6,7-tetrahydroindazol-3-yl)-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine;4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-N-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)-1,3-thiazol-2-amine
• SMILES: CCn1nc2c(c1Nc1nc(-c3ccc(-n4cnc(C)c4)c(OC)n3)cs1)CCCC2.COc1nc(-c2csc(Nc3c4c(nn3C)CCCC4)n2)ccc1-n1cnc(C)c1
• InChI: InChI=1S/C22H25N7OS.C21H23N7OS/c1-4-29-20(15-7-5-6-8-16(15)27-29)26-22-25-18(12-31-22)17-9-10-19(21(24-17)30-3)28-11-14(2)23-13-28;1-13-10-28(12-22-13)18-9-8-16(23-20(18)29-3)17-11-30-21(24-17)25-19-14-6-4-5-7-15(14)26-27(19)2/h9-13H,4-8H2,1-3H3,(H,25,26);8-12H,4-7H2,1-3H3,(H,24,25)
• InChIKey: GVPIZYDIFXXXKF-UHFFFAOYSA-N
• XLogP: 8.61
• TPSA: 165.36 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 18
• Rotatable Bonds: 11
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	857.09
LogP ≤ 5	8.61
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-4,5,6,7-tetrahydroindazol-3-yl)-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine;4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-N-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)-1,3-thiazol-2-amine?

The IUPAC name of N-(2-ethyl-4,5,6,7-tetrahydroindazol-3-yl)-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine;4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-N-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)-1,3-thiazol-2-amine (CID 158379428) is N-(2-ethyl-4,5,6,7-tetrahydroindazol-3-yl)-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine;4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-N-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)-1,3-thiazol-2-amine.

What is the SMILES notation for N-(2-ethyl-4,5,6,7-tetrahydroindazol-3-yl)-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine;4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-N-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)-1,3-thiazol-2-amine?

The canonical SMILES for N-(2-ethyl-4,5,6,7-tetrahydroindazol-3-yl)-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine;4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-N-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)-1,3-thiazol-2-amine is CCn1nc2c(c1Nc1nc(-c3ccc(-n4cnc(C)c4)c(OC)n3)cs1)CCCC2.COc1nc(-c2csc(Nc3c4c(nn3C)CCCC4)n2)ccc1-n1cnc(C)c1.

What is the InChIKey of N-(2-ethyl-4,5,6,7-tetrahydroindazol-3-yl)-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine;4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-N-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)-1,3-thiazol-2-amine?

The InChIKey is GVPIZYDIFXXXKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N7OS.C21H23N7OS/c1-4-29-20(15-7-5-6-8-16(15)27-29)26-22-25-18(12-31-22)17-9-10-19(21(24-17)30-3)28-11-14(2)23-13-28;1-13-10-28(12-22-13)18-9-8-16(23-20(18)29-3)17-11-30-21(24-17)25-19-14-6-4-5-7-15(14)26-27(19)2/h9-13H,4-8H2,1-3H3,(H,25,26);8-12H,4-7H2,1-3H3,(H,24,25).

What are the key properties of N-(2-ethyl-4,5,6,7-tetrahydroindazol-3-yl)-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine;4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-N-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)-1,3-thiazol-2-amine?

N-(2-ethyl-4,5,6,7-tetrahydroindazol-3-yl)-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine;4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-N-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)-1,3-thiazol-2-amine has a molecular weight of 857.09 g/mol, XLogP of 8.61, 11 rotatable bonds, 2 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-ethyl-4,5,6,7-tetrahydroindazol-3-yl)-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine;4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-N-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 158379428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).