N-[(2S,3S,4S)-2-(5-chlorothiophen-2-yl)-1-[1-(4-fluorophenyl)indazol-5-yl]-4-methyl-5-oxopyrrolidin-3-yl]-4-methyl-1,3-thiazole-5-carboxamide

C27H21ClFN5O2S2 — CID 154598080

About N-[(2S,3S,4S)-2-(5-chlorothiophen-2-yl)-1-[1-(4-fluorophenyl)indazol-5-yl]-4-methyl-5-oxopyrrolidin-3-yl]-4-methyl-1,3-thiazole-5-carboxamide

N-[(2S,3S,4S)-2-(5-chlorothiophen-2-yl)-1-[1-(4-fluorophenyl)indazol-5-yl]-4-methyl-5-oxopyrrolidin-3-yl]-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 154598080) has the molecular formula C27H21ClFN5O2S2 and a molecular weight of 566.08 g/mol. Its IUPAC name is N-[(2S,3S,4S)-2-(5-chlorothiophen-2-yl)-1-[1-(4-fluorophenyl)indazol-5-yl]-4-methyl-5-oxopyrrolidin-3-yl]-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

• Compound Name: N-[(2S,3S,4S)-2-(5-chlorothiophen-2-yl)-1-[1-(4-fluorophenyl)indazol-5-yl]-4-methyl-5-oxopyrrolidin-3-yl]-4-methyl-1,3-thiazole-5-carboxamide
• PubChem CID: 154598080
• Molecular Formula: C27H21ClFN5O2S2
• Molecular Weight: 566.08 g/mol
• Exact Mass: 565.08
• IUPAC Name: N-[(2S,3S,4S)-2-(5-chlorothiophen-2-yl)-1-[1-(4-fluorophenyl)indazol-5-yl]-4-methyl-5-oxopyrrolidin-3-yl]-4-methyl-1,3-thiazole-5-carboxamide
• SMILES: Cc1ncsc1C(=O)N[C@H]1[C@H](C)C(=O)N(c2ccc3c(cnn3-c3ccc(F)cc3)c2)[C@@H]1c1ccc(Cl)s1
• InChI: InChI=1S/C27H21ClFN5O2S2/c1-14-23(32-26(35)25-15(2)30-13-37-25)24(21-9-10-22(28)38-21)33(27(14)36)19-7-8-20-16(11-19)12-31-34(20)18-5-3-17(29)4-6-18/h3-14,23-24H,1-2H3,(H,32,35)/t14-,23-,24+/m0/s1
• InChIKey: WICFCWJZMNPJSK-NGSRUVMCSA-N
• XLogP: 6.17
• TPSA: 80.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	566.08
LogP ≤ 5	6.17
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[(2S,3S,4S)-2-(5-chlorothiophen-2-yl)-1-[1-(4-fluorophenyl)indazol-5-yl]-4-methyl-5-oxopyrrolidin-3-yl]-4-methyl-1,3-thiazole-5-carboxamide?

The IUPAC name of N-[(2S,3S,4S)-2-(5-chlorothiophen-2-yl)-1-[1-(4-fluorophenyl)indazol-5-yl]-4-methyl-5-oxopyrrolidin-3-yl]-4-methyl-1,3-thiazole-5-carboxamide (CID 154598080) is N-[(2S,3S,4S)-2-(5-chlorothiophen-2-yl)-1-[1-(4-fluorophenyl)indazol-5-yl]-4-methyl-5-oxopyrrolidin-3-yl]-4-methyl-1,3-thiazole-5-carboxamide.

What is the SMILES notation for N-[(2S,3S,4S)-2-(5-chlorothiophen-2-yl)-1-[1-(4-fluorophenyl)indazol-5-yl]-4-methyl-5-oxopyrrolidin-3-yl]-4-methyl-1,3-thiazole-5-carboxamide?

The canonical SMILES for N-[(2S,3S,4S)-2-(5-chlorothiophen-2-yl)-1-[1-(4-fluorophenyl)indazol-5-yl]-4-methyl-5-oxopyrrolidin-3-yl]-4-methyl-1,3-thiazole-5-carboxamide is Cc1ncsc1C(=O)N[C@H]1[C@H](C)C(=O)N(c2ccc3c(cnn3-c3ccc(F)cc3)c2)[C@@H]1c1ccc(Cl)s1.

What is the InChIKey of N-[(2S,3S,4S)-2-(5-chlorothiophen-2-yl)-1-[1-(4-fluorophenyl)indazol-5-yl]-4-methyl-5-oxopyrrolidin-3-yl]-4-methyl-1,3-thiazole-5-carboxamide?

The InChIKey is WICFCWJZMNPJSK-NGSRUVMCSA-N. The full InChI is InChI=1S/C27H21ClFN5O2S2/c1-14-23(32-26(35)25-15(2)30-13-37-25)24(21-9-10-22(28)38-21)33(27(14)36)19-7-8-20-16(11-19)12-31-34(20)18-5-3-17(29)4-6-18/h3-14,23-24H,1-2H3,(H,32,35)/t14-,23-,24+/m0/s1.

What are the key properties of N-[(2S,3S,4S)-2-(5-chlorothiophen-2-yl)-1-[1-(4-fluorophenyl)indazol-5-yl]-4-methyl-5-oxopyrrolidin-3-yl]-4-methyl-1,3-thiazole-5-carboxamide?

N-[(2S,3S,4S)-2-(5-chlorothiophen-2-yl)-1-[1-(4-fluorophenyl)indazol-5-yl]-4-methyl-5-oxopyrrolidin-3-yl]-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 566.08 g/mol, XLogP of 6.17, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S,3S,4S)-2-(5-chlorothiophen-2-yl)-1-[1-(4-fluorophenyl)indazol-5-yl]-4-methyl-5-oxopyrrolidin-3-yl]-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 154598080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).