5-ethyl-N-[3-[6-[(1-ethylpyrazol-4-yl)amino]-4-methyl-5-oxopyrazin-2-yl]-6-fluoro-2-methylphenyl]-4-propan-2-ylthiophene-2-carboxamide

C27H31FN6O2S — CID 70953293

IUPAC5-ethyl-N-[3-[6-[(1-ethylpyrazol-4-yl)amino]-4-methyl-5-oxopyrazin-2-yl]-6-fluoro-2-methylphenyl]-4-propan-2-ylthiophene-2-carboxamide
SMILESCCc1sc(C(=O)Nc2c(F)ccc(-c3cn(C)c(=O)c(Nc4cnn(CC)c4)n3)c2C)cc1C(C)C
InChIInChI=1S/C27H31FN6O2S/c1-7-22-19(15(3)4)11-23(37-22)26(35)32-24-16(5)18(9-10-20(24)28)21-14-33(6)27(36)25(31-21)30-17-12-29-34(8-2)13-17/h9-15H,7-8H2,1-6H3,(H,30,31)(H,32,35)
InChIKeyDRRMYARDNGTOQG-UHFFFAOYSA-N
MW522.65 g/mol
LogP5.85
Rot. Bonds8

About 5-ethyl-N-[3-[6-[(1-ethylpyrazol-4-yl)amino]-4-methyl-5-oxopyrazin-2-yl]-6-fluoro-2-methylphenyl]-4-propan-2-ylthiophene-2-carboxamide

5-ethyl-N-[3-[6-[(1-ethylpyrazol-4-yl)amino]-4-methyl-5-oxopyrazin-2-yl]-6-fluoro-2-methylphenyl]-4-propan-2-ylthiophene-2-carboxamide (PubChem CID 70953293) has the molecular formula C27H31FN6O2S and a molecular weight of 522.65 g/mol. Its IUPAC name is 5-ethyl-N-[3-[6-[(1-ethylpyrazol-4-yl)amino]-4-methyl-5-oxopyrazin-2-yl]-6-fluoro-2-methylphenyl]-4-propan-2-ylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-ethyl-N-[3-[6-[(1-ethylpyrazol-4-yl)amino]-4-methyl-5-oxopyrazin-2-yl]-6-fluoro-2-methylphenyl]-4-propan-2-ylthiophene-2-carboxamide
PubChem CID70953293
Molecular FormulaC27H31FN6O2S
Molecular Weight522.65 g/mol
Exact Mass522.22
IUPAC Name5-ethyl-N-[3-[6-[(1-ethylpyrazol-4-yl)amino]-4-methyl-5-oxopyrazin-2-yl]-6-fluoro-2-methylphenyl]-4-propan-2-ylthiophene-2-carboxamide
SMILESCCc1sc(C(=O)Nc2c(F)ccc(-c3cn(C)c(=O)c(Nc4cnn(CC)c4)n3)c2C)cc1C(C)C
InChIInChI=1S/C27H31FN6O2S/c1-7-22-19(15(3)4)11-23(37-22)26(35)32-24-16(5)18(9-10-20(24)28)21-14-33(6)27(36)25(31-21)30-17-12-29-34(8-2)13-17/h9-15H,7-8H2,1-6H3,(H,30,31)(H,32,35)
InChIKeyDRRMYARDNGTOQG-UHFFFAOYSA-N
XLogP5.85
TPSA93.84 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.65
LogP ≤ 55.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 5-ethyl-N-[3-[6-[(1-ethylpyrazol-4-yl)amino]-4-methyl-5-oxopyrazin-2-yl]-6-fluoro-2-methylphenyl]-4-propan-2-ylthiophene-2-carboxamide with MolForge

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Related Compounds

N-[3-[6-[4-(1-ethyl-3-oxopiperazin-2-yl)anilino]-4-methyl-5-oxopyrazin-2-yl]-6-fluoro-2-methylphenyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 25234289
4,5,6,7-tetrahydro-1-benzothiophen-2-yl N-[3-[6-[4-(1-ethyl-3-oxopiperazin-2-yl)anilino]-4-methyl-5-oxopyrazin-2-yl]-6-fluoro-2-methylphenyl]carbamate
CID 122437491
N-[3-[[6-(2,3-dimethylphenyl)-4-methyl-3-oxopyrazin-2-yl]amino]phenyl]-2-ethoxyacetamide
CID 143646336
4-tert-butyl-N-[3-[6-[3-(hydroxymethyl)anilino]-4-methyl-5-oxopyrazin-2-yl]-2-methylphenyl]benzamide
CID 11852272
5-[2,4-difluoro-3-[2-oxo-2-(3-thiatricyclo[5.2.1.02,6]deca-2(6),4-dien-4-yl)ethyl]phenyl]-1-methyl-3-(1H-pyrazol-4-ylamino)pyrazin-2-one
CID 58266995
5-[(1-ethylpyrazol-4-yl)carbamoyl]thiophene-2-carboxylic acid
CID 43429906
N'-(1-ethylpyrazol-4-yl)-N-(3-propan-2-ylphenyl)oxamide
CID 60551908
3-(3-aminoanilino)-5-(3-amino-2-methylphenyl)-1-methylpyrazin-2-one
CID 68605567
5-methyl-N-[2-methyl-3-[4-methyl-6-[4-[(oxan-4-ylamino)methyl]anilino]-5-oxopyrazin-2-yl]phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 58729006
2-butyl-N-[3-[6-(4-fluoro-3-nitroanilino)-4-methyl-5-oxopyrazin-2-yl]-2-methylphenyl]benzamide
CID 174549037
4-tert-butyl-N-[3-[6-[4-(4-ethylpiperazin-1-yl)anilino]-4-methyl-5-oxopyrazin-2-yl]-2-methylphenyl]benzamide
CID 66895894
2-[4-[(4-ethyl-5-methylthiophene-2-carbonyl)amino]pyrazol-1-yl]acetic acid
CID 61019164

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[3-[6-[(1-ethylpyrazol-4-yl)amino]-4-methyl-5-oxopyrazin-2-yl]-6-fluoro-2-methylphenyl]-4-propan-2-ylthiophene-2-carboxamide?
The IUPAC name of 5-ethyl-N-[3-[6-[(1-ethylpyrazol-4-yl)amino]-4-methyl-5-oxopyrazin-2-yl]-6-fluoro-2-methylphenyl]-4-propan-2-ylthiophene-2-carboxamide (CID 70953293) is 5-ethyl-N-[3-[6-[(1-ethylpyrazol-4-yl)amino]-4-methyl-5-oxopyrazin-2-yl]-6-fluoro-2-methylphenyl]-4-propan-2-ylthiophene-2-carboxamide.
What is the SMILES notation for 5-ethyl-N-[3-[6-[(1-ethylpyrazol-4-yl)amino]-4-methyl-5-oxopyrazin-2-yl]-6-fluoro-2-methylphenyl]-4-propan-2-ylthiophene-2-carboxamide?
The canonical SMILES for 5-ethyl-N-[3-[6-[(1-ethylpyrazol-4-yl)amino]-4-methyl-5-oxopyrazin-2-yl]-6-fluoro-2-methylphenyl]-4-propan-2-ylthiophene-2-carboxamide is CCc1sc(C(=O)Nc2c(F)ccc(-c3cn(C)c(=O)c(Nc4cnn(CC)c4)n3)c2C)cc1C(C)C.
What is the InChIKey of 5-ethyl-N-[3-[6-[(1-ethylpyrazol-4-yl)amino]-4-methyl-5-oxopyrazin-2-yl]-6-fluoro-2-methylphenyl]-4-propan-2-ylthiophene-2-carboxamide?
The InChIKey is DRRMYARDNGTOQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31FN6O2S/c1-7-22-19(15(3)4)11-23(37-22)26(35)32-24-16(5)18(9-10-20(24)28)21-14-33(6)27(36)25(31-21)30-17-12-29-34(8-2)13-17/h9-15H,7-8H2,1-6H3,(H,30,31)(H,32,35).
What are the key properties of 5-ethyl-N-[3-[6-[(1-ethylpyrazol-4-yl)amino]-4-methyl-5-oxopyrazin-2-yl]-6-fluoro-2-methylphenyl]-4-propan-2-ylthiophene-2-carboxamide?
5-ethyl-N-[3-[6-[(1-ethylpyrazol-4-yl)amino]-4-methyl-5-oxopyrazin-2-yl]-6-fluoro-2-methylphenyl]-4-propan-2-ylthiophene-2-carboxamide has a molecular weight of 522.65 g/mol, XLogP of 5.85, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[3-[6-[(1-ethylpyrazol-4-yl)amino]-4-methyl-5-oxopyrazin-2-yl]-6-fluoro-2-methylphenyl]-4-propan-2-ylthiophene-2-carboxamide is sourced from PubChem (CID 70953293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).