N-[2-[1-[[1-[4-[[(3S)-2,6-bis(oxomethylidene)piperidin-3-yl]carbamoyl]-3-methoxyphenyl]piperidin-4-yl]methyl]piperidin-4-yl]-6-piperidin-1-ylindazol-5-yl]-[1,3]thiazolo[5,4-c]pyridine-7-carboxamide

C45H50N10O5S — CID 177209038

About N-[2-[1-[[1-[4-[[(3S)-2,6-bis(oxomethylidene)piperidin-3-yl]carbamoyl]-3-methoxyphenyl]piperidin-4-yl]methyl]piperidin-4-yl]-6-piperidin-1-ylindazol-5-yl]-[1,3]thiazolo[5,4-c]pyridine-7-carboxamide

N-[2-[1-[[1-[4-[[(3S)-2,6-bis(oxomethylidene)piperidin-3-yl]carbamoyl]-3-methoxyphenyl]piperidin-4-yl]methyl]piperidin-4-yl]-6-piperidin-1-ylindazol-5-yl]-[1,3]thiazolo[5,4-c]pyridine-7-carboxamide (PubChem CID 177209038) has the molecular formula C45H50N10O5S and a molecular weight of 843.03 g/mol. Its IUPAC name is N-[2-[1-[[1-[4-[[(3S)-2,6-bis(oxomethylidene)piperidin-3-yl]carbamoyl]-3-methoxyphenyl]piperidin-4-yl]methyl]piperidin-4-yl]-6-piperidin-1-ylindazol-5-yl]-[1,3]thiazolo[5,4-c]pyridine-7-carboxamide.

Molecular Properties

• Compound Name: N-[2-[1-[[1-[4-[[(3S)-2,6-bis(oxomethylidene)piperidin-3-yl]carbamoyl]-3-methoxyphenyl]piperidin-4-yl]methyl]piperidin-4-yl]-6-piperidin-1-ylindazol-5-yl]-[1,3]thiazolo[5,4-c]pyridine-7-carboxamide
• PubChem CID: 177209038
• Molecular Formula: C45H50N10O5S
• Molecular Weight: 843.03 g/mol
• Exact Mass: 842.37
• IUPAC Name: N-[2-[1-[[1-[4-[[(3S)-2,6-bis(oxomethylidene)piperidin-3-yl]carbamoyl]-3-methoxyphenyl]piperidin-4-yl]methyl]piperidin-4-yl]-6-piperidin-1-ylindazol-5-yl]-[1,3]thiazolo[5,4-c]pyridine-7-carboxamide
• SMILES: COc1cc(N2CCC(CN3CCC(n4cc5cc(NC(=O)c6cncc7scnc67)c(N6CCCCC6)cc5n4)CC3)CC2)ccc1C(=O)N[C@H]1CCC(=C=O)NC1=C=O
• InChI: InChI=1S/C45H50N10O5S/c1-60-41-20-33(6-7-34(41)44(58)49-36-8-5-31(26-56)48-39(36)27-57)53-17-9-29(10-18-53)24-52-15-11-32(12-16-52)55-25-30-19-38(40(21-37(30)51-55)54-13-3-2-4-14-54)50-45(59)35-22-46-23-42-43(35)47-28-61-42/h6-7,19-23,25,28-29,32,36,48H,2-5,8-18,24H2,1H3,(H,49,58)(H,50,59)/t36-/m0/s1
• InChIKey: WJCWOEUZVVLJBG-BHVANESWSA-N
• XLogP: 5.76
• TPSA: 166.92 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 14
• Rotatable Bonds: 10
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	843.03
LogP ≤ 5	5.76
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'ketene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[[1-[4-[[(3S)-2,6-bis(oxomethylidene)piperidin-3-yl]carbamoyl]-3-methoxyphenyl]piperidin-4-yl]methyl]piperidin-4-yl]-6-piperidin-1-ylindazol-5-yl]-[1,3]thiazolo[5,4-c]pyridine-7-carboxamide?

The IUPAC name of N-[2-[1-[[1-[4-[[(3S)-2,6-bis(oxomethylidene)piperidin-3-yl]carbamoyl]-3-methoxyphenyl]piperidin-4-yl]methyl]piperidin-4-yl]-6-piperidin-1-ylindazol-5-yl]-[1,3]thiazolo[5,4-c]pyridine-7-carboxamide (CID 177209038) is N-[2-[1-[[1-[4-[[(3S)-2,6-bis(oxomethylidene)piperidin-3-yl]carbamoyl]-3-methoxyphenyl]piperidin-4-yl]methyl]piperidin-4-yl]-6-piperidin-1-ylindazol-5-yl]-[1,3]thiazolo[5,4-c]pyridine-7-carboxamide.

What is the SMILES notation for N-[2-[1-[[1-[4-[[(3S)-2,6-bis(oxomethylidene)piperidin-3-yl]carbamoyl]-3-methoxyphenyl]piperidin-4-yl]methyl]piperidin-4-yl]-6-piperidin-1-ylindazol-5-yl]-[1,3]thiazolo[5,4-c]pyridine-7-carboxamide?

The canonical SMILES for N-[2-[1-[[1-[4-[[(3S)-2,6-bis(oxomethylidene)piperidin-3-yl]carbamoyl]-3-methoxyphenyl]piperidin-4-yl]methyl]piperidin-4-yl]-6-piperidin-1-ylindazol-5-yl]-[1,3]thiazolo[5,4-c]pyridine-7-carboxamide is COc1cc(N2CCC(CN3CCC(n4cc5cc(NC(=O)c6cncc7scnc67)c(N6CCCCC6)cc5n4)CC3)CC2)ccc1C(=O)N[C@H]1CCC(=C=O)NC1=C=O.

What is the InChIKey of N-[2-[1-[[1-[4-[[(3S)-2,6-bis(oxomethylidene)piperidin-3-yl]carbamoyl]-3-methoxyphenyl]piperidin-4-yl]methyl]piperidin-4-yl]-6-piperidin-1-ylindazol-5-yl]-[1,3]thiazolo[5,4-c]pyridine-7-carboxamide?

The InChIKey is WJCWOEUZVVLJBG-BHVANESWSA-N. The full InChI is InChI=1S/C45H50N10O5S/c1-60-41-20-33(6-7-34(41)44(58)49-36-8-5-31(26-56)48-39(36)27-57)53-17-9-29(10-18-53)24-52-15-11-32(12-16-52)55-25-30-19-38(40(21-37(30)51-55)54-13-3-2-4-14-54)50-45(59)35-22-46-23-42-43(35)47-28-61-42/h6-7,19-23,25,28-29,32,36,48H,2-5,8-18,24H2,1H3,(H,49,58)(H,50,59)/t36-/m0/s1.

What are the key properties of N-[2-[1-[[1-[4-[[(3S)-2,6-bis(oxomethylidene)piperidin-3-yl]carbamoyl]-3-methoxyphenyl]piperidin-4-yl]methyl]piperidin-4-yl]-6-piperidin-1-ylindazol-5-yl]-[1,3]thiazolo[5,4-c]pyridine-7-carboxamide?

N-[2-[1-[[1-[4-[[(3S)-2,6-bis(oxomethylidene)piperidin-3-yl]carbamoyl]-3-methoxyphenyl]piperidin-4-yl]methyl]piperidin-4-yl]-6-piperidin-1-ylindazol-5-yl]-[1,3]thiazolo[5,4-c]pyridine-7-carboxamide has a molecular weight of 843.03 g/mol, XLogP of 5.76, 10 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[1-[[1-[4-[[(3S)-2,6-bis(oxomethylidene)piperidin-3-yl]carbamoyl]-3-methoxyphenyl]piperidin-4-yl]methyl]piperidin-4-yl]-6-piperidin-1-ylindazol-5-yl]-[1,3]thiazolo[5,4-c]pyridine-7-carboxamide is sourced from PubChem (CID 177209038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).