N-[(4-ethyl-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-[6-[4-[2-[2-[2-[2-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethoxy]ethoxy]ethoxy]ethyl]piperazin-1-yl]-3-pyridinyl]-1-propan-2-ylindazole-4-carboxamide

C60H79N11O9S — CID 135147384

About N-[(4-ethyl-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-[6-[4-[2-[2-[2-[2-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethoxy]ethoxy]ethoxy]ethyl]piperazin-1-yl]-3-pyridinyl]-1-propan-2-ylindazole-4-carboxamide

N-[(4-ethyl-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-[6-[4-[2-[2-[2-[2-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethoxy]ethoxy]ethoxy]ethyl]piperazin-1-yl]-3-pyridinyl]-1-propan-2-ylindazole-4-carboxamide (PubChem CID 135147384) has the molecular formula C60H79N11O9S and a molecular weight of 1130.43 g/mol. Its IUPAC name is N-[(4-ethyl-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-[6-[4-[2-[2-[2-[2-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethoxy]ethoxy]ethoxy]ethyl]piperazin-1-yl]-3-pyridinyl]-1-propan-2-ylindazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[(4-ethyl-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-[6-[4-[2-[2-[2-[2-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethoxy]ethoxy]ethoxy]ethyl]piperazin-1-yl]-3-pyridinyl]-1-propan-2-ylindazole-4-carboxamide
• PubChem CID: 135147384
• Molecular Formula: C60H79N11O9S
• Molecular Weight: 1130.43 g/mol
• Exact Mass: 1129.58
• IUPAC Name: N-[(4-ethyl-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-[6-[4-[2-[2-[2-[2-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethoxy]ethoxy]ethoxy]ethyl]piperazin-1-yl]-3-pyridinyl]-1-propan-2-ylindazole-4-carboxamide
• SMILES: CCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(-c2ccc(N3CCN(CCOCCOCCOCC(=O)N[C@H](C(=O)N4C[C@H](O)C[C@H]4C(=O)N[C@@H](C)c4ccc(-c5scnc5C)cc4)C(C)(C)C)CC3)nc2)cc2c1cnn2C(C)C
• InChI: InChI=1S/C60H79N11O9S/c1-10-41-27-38(4)65-57(75)48(41)32-62-56(74)47-28-45(29-50-49(47)33-64-71(50)37(2)3)44-15-16-52(61-31-44)69-19-17-68(18-20-69)21-22-78-23-24-79-25-26-80-35-53(73)67-55(60(7,8)9)59(77)70-34-46(72)30-51(70)58(76)66-39(5)42-11-13-43(14-12-42)54-40(6)63-36-81-54/h11-16,27-29,31,33,36-37,39,46,51,55,72H,10,17-26,30,32,34-35H2,1-9H3,(H,62,74)(H,65,75)(H,66,76)(H,67,73)/t39-,46+,51-,55+/m0/s1
• InChIKey: PVIWWDGGCFVOAW-YEMFMDLSSA-N
• XLogP: 6.14
• TPSA: 238.47 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 16
• Rotatable Bonds: 24
• Heavy Atoms: 81
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1130.43
LogP ≤ 5	6.14
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethyl-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-[6-[4-[2-[2-[2-[2-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethoxy]ethoxy]ethoxy]ethyl]piperazin-1-yl]-3-pyridinyl]-1-propan-2-ylindazole-4-carboxamide?

The IUPAC name of N-[(4-ethyl-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-[6-[4-[2-[2-[2-[2-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethoxy]ethoxy]ethoxy]ethyl]piperazin-1-yl]-3-pyridinyl]-1-propan-2-ylindazole-4-carboxamide (CID 135147384) is N-[(4-ethyl-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-[6-[4-[2-[2-[2-[2-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethoxy]ethoxy]ethoxy]ethyl]piperazin-1-yl]-3-pyridinyl]-1-propan-2-ylindazole-4-carboxamide.

What is the SMILES notation for N-[(4-ethyl-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-[6-[4-[2-[2-[2-[2-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethoxy]ethoxy]ethoxy]ethyl]piperazin-1-yl]-3-pyridinyl]-1-propan-2-ylindazole-4-carboxamide?

The canonical SMILES for N-[(4-ethyl-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-[6-[4-[2-[2-[2-[2-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethoxy]ethoxy]ethoxy]ethyl]piperazin-1-yl]-3-pyridinyl]-1-propan-2-ylindazole-4-carboxamide is CCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(-c2ccc(N3CCN(CCOCCOCCOCC(=O)N[C@H](C(=O)N4C[C@H](O)C[C@H]4C(=O)N[C@@H](C)c4ccc(-c5scnc5C)cc4)C(C)(C)C)CC3)nc2)cc2c1cnn2C(C)C.

What is the InChIKey of N-[(4-ethyl-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-[6-[4-[2-[2-[2-[2-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethoxy]ethoxy]ethoxy]ethyl]piperazin-1-yl]-3-pyridinyl]-1-propan-2-ylindazole-4-carboxamide?

The InChIKey is PVIWWDGGCFVOAW-YEMFMDLSSA-N. The full InChI is InChI=1S/C60H79N11O9S/c1-10-41-27-38(4)65-57(75)48(41)32-62-56(74)47-28-45(29-50-49(47)33-64-71(50)37(2)3)44-15-16-52(61-31-44)69-19-17-68(18-20-69)21-22-78-23-24-79-25-26-80-35-53(73)67-55(60(7,8)9)59(77)70-34-46(72)30-51(70)58(76)66-39(5)42-11-13-43(14-12-42)54-40(6)63-36-81-54/h11-16,27-29,31,33,36-37,39,46,51,55,72H,10,17-26,30,32,34-35H2,1-9H3,(H,62,74)(H,65,75)(H,66,76)(H,67,73)/t39-,46+,51-,55+/m0/s1.

What are the key properties of N-[(4-ethyl-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-[6-[4-[2-[2-[2-[2-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethoxy]ethoxy]ethoxy]ethyl]piperazin-1-yl]-3-pyridinyl]-1-propan-2-ylindazole-4-carboxamide?

N-[(4-ethyl-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-[6-[4-[2-[2-[2-[2-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethoxy]ethoxy]ethoxy]ethyl]piperazin-1-yl]-3-pyridinyl]-1-propan-2-ylindazole-4-carboxamide has a molecular weight of 1130.43 g/mol, XLogP of 6.14, 24 rotatable bonds, 5 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4-ethyl-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-[6-[4-[2-[2-[2-[2-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethoxy]ethoxy]ethoxy]ethyl]piperazin-1-yl]-3-pyridinyl]-1-propan-2-ylindazole-4-carboxamide is sourced from PubChem (CID 135147384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).