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

C30H26FN5O3S — CID 154598210

IUPACN-[(2R,3S,4S)-1-[1-(4-fluorophenyl)indazol-5-yl]-2-(4-methoxyphenyl)-4-methyl-5-oxopyrrolidin-3-yl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCOc1ccc([C@@H]2[C@@H](NC(=O)c3scnc3C)[C@H](C)C(=O)N2c2ccc3c(cnn3-c3ccc(F)cc3)c2)cc1
InChIInChI=1S/C30H26FN5O3S/c1-17-26(34-29(37)28-18(2)32-16-40-28)27(19-4-11-24(39-3)12-5-19)35(30(17)38)23-10-13-25-20(14-23)15-33-36(25)22-8-6-21(31)7-9-22/h4-17,26-27H,1-3H3,(H,34,37)/t17-,26-,27+/m0/s1
InChIKeyDBGRPXDHPUAZRB-GJYHUBHWSA-N
MW555.64 g/mol
LogP5.46
Rot. Bonds6

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

N-[(2R,3S,4S)-1-[1-(4-fluorophenyl)indazol-5-yl]-2-(4-methoxyphenyl)-4-methyl-5-oxopyrrolidin-3-yl]-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 154598210) has the molecular formula C30H26FN5O3S and a molecular weight of 555.64 g/mol. Its IUPAC name is N-[(2R,3S,4S)-1-[1-(4-fluorophenyl)indazol-5-yl]-2-(4-methoxyphenyl)-4-methyl-5-oxopyrrolidin-3-yl]-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2R,3S,4S)-1-[1-(4-fluorophenyl)indazol-5-yl]-2-(4-methoxyphenyl)-4-methyl-5-oxopyrrolidin-3-yl]-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID154598210
Molecular FormulaC30H26FN5O3S
Molecular Weight555.64 g/mol
Exact Mass555.17
IUPAC NameN-[(2R,3S,4S)-1-[1-(4-fluorophenyl)indazol-5-yl]-2-(4-methoxyphenyl)-4-methyl-5-oxopyrrolidin-3-yl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCOc1ccc([C@@H]2[C@@H](NC(=O)c3scnc3C)[C@H](C)C(=O)N2c2ccc3c(cnn3-c3ccc(F)cc3)c2)cc1
InChIInChI=1S/C30H26FN5O3S/c1-17-26(34-29(37)28-18(2)32-16-40-28)27(19-4-11-24(39-3)12-5-19)35(30(17)38)23-10-13-25-20(14-23)15-33-36(25)22-8-6-21(31)7-9-22/h4-17,26-27H,1-3H3,(H,34,37)/t17-,26-,27+/m0/s1
InChIKeyDBGRPXDHPUAZRB-GJYHUBHWSA-N
XLogP5.46
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500555.64
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[(2R,3S,4S)-1-[1-(4-fluorophenyl)indazol-5-yl]-2-(4-methoxyphenyl)-4-methyl-5-oxopyrrolidin-3-yl]-4-methyl-1,3-thiazole-5-carboxamide with MolForge

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Related Compounds

1-Benzyl-N-(3,4-difluorobenzyl)-2-isopropyl-6-(1,3-thiazol-2-yloxy)-1H-indole-3-carboxamide
CID 59762285
N-[1-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyrazol-4-yl]-5-phenyl-1,3-thiazole-4-carboxamide
CID 60163290
N-[1-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyrazol-4-yl]-5-(3-methylphenyl)-1,3-thiazole-4-carboxamide
CID 60163535
US9951086, Example 228
CID 118173003
US9951086, Example 117
CID 118173106
5-methoxy-2-methyl-N-[[2-[4-(trifluoromethoxy)phenyl]thiazol-5-yl]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 155553265
US12358907, Example 67
CID 154597995
US12358907, Example 84
CID 154598069
US12358907, Example 83
CID 154598118
US12358907, Example 71
CID 154598151
US12358907, Example 38a
CID 154598211
US12358907, Example 98
CID 154598217

Frequently Asked Questions

What is the IUPAC name of N-[(2R,3S,4S)-1-[1-(4-fluorophenyl)indazol-5-yl]-2-(4-methoxyphenyl)-4-methyl-5-oxopyrrolidin-3-yl]-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[(2R,3S,4S)-1-[1-(4-fluorophenyl)indazol-5-yl]-2-(4-methoxyphenyl)-4-methyl-5-oxopyrrolidin-3-yl]-4-methyl-1,3-thiazole-5-carboxamide (CID 154598210) is N-[(2R,3S,4S)-1-[1-(4-fluorophenyl)indazol-5-yl]-2-(4-methoxyphenyl)-4-methyl-5-oxopyrrolidin-3-yl]-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[(2R,3S,4S)-1-[1-(4-fluorophenyl)indazol-5-yl]-2-(4-methoxyphenyl)-4-methyl-5-oxopyrrolidin-3-yl]-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[(2R,3S,4S)-1-[1-(4-fluorophenyl)indazol-5-yl]-2-(4-methoxyphenyl)-4-methyl-5-oxopyrrolidin-3-yl]-4-methyl-1,3-thiazole-5-carboxamide is COc1ccc([C@@H]2[C@@H](NC(=O)c3scnc3C)[C@H](C)C(=O)N2c2ccc3c(cnn3-c3ccc(F)cc3)c2)cc1.
What is the InChIKey of N-[(2R,3S,4S)-1-[1-(4-fluorophenyl)indazol-5-yl]-2-(4-methoxyphenyl)-4-methyl-5-oxopyrrolidin-3-yl]-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is DBGRPXDHPUAZRB-GJYHUBHWSA-N. The full InChI is InChI=1S/C30H26FN5O3S/c1-17-26(34-29(37)28-18(2)32-16-40-28)27(19-4-11-24(39-3)12-5-19)35(30(17)38)23-10-13-25-20(14-23)15-33-36(25)22-8-6-21(31)7-9-22/h4-17,26-27H,1-3H3,(H,34,37)/t17-,26-,27+/m0/s1.
What are the key properties of N-[(2R,3S,4S)-1-[1-(4-fluorophenyl)indazol-5-yl]-2-(4-methoxyphenyl)-4-methyl-5-oxopyrrolidin-3-yl]-4-methyl-1,3-thiazole-5-carboxamide?
N-[(2R,3S,4S)-1-[1-(4-fluorophenyl)indazol-5-yl]-2-(4-methoxyphenyl)-4-methyl-5-oxopyrrolidin-3-yl]-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 555.64 g/mol, XLogP of 5.46, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3S,4S)-1-[1-(4-fluorophenyl)indazol-5-yl]-2-(4-methoxyphenyl)-4-methyl-5-oxopyrrolidin-3-yl]-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 154598210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).