4-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyrazin-6-yl]-5-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide

C18H16F3N5O2S — CID 118357062

IUPAC4-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyrazin-6-yl]-5-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
SMILESCc1sc(C(=O)NCC(F)(F)F)cc1-c1cn2cc(NC(=O)C3CC3)nc2cn1
InChIInChI=1S/C18H16F3N5O2S/c1-9-11(4-13(29-9)17(28)23-8-18(19,20)21)12-6-26-7-14(24-15(26)5-22-12)25-16(27)10-2-3-10/h4-7,10H,2-3,8H2,1H3,(H,23,28)(H,25,27)
InChIKeyIFOSFSMUJFHYSE-UHFFFAOYSA-N
MW423.42 g/mol
LogP3.41
Rot. Bonds5

About 4-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyrazin-6-yl]-5-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide

4-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyrazin-6-yl]-5-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide (PubChem CID 118357062) has the molecular formula C18H16F3N5O2S and a molecular weight of 423.42 g/mol. Its IUPAC name is 4-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyrazin-6-yl]-5-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name4-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyrazin-6-yl]-5-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
PubChem CID118357062
Molecular FormulaC18H16F3N5O2S
Molecular Weight423.42 g/mol
Exact Mass423.10
IUPAC Name4-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyrazin-6-yl]-5-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
SMILESCc1sc(C(=O)NCC(F)(F)F)cc1-c1cn2cc(NC(=O)C3CC3)nc2cn1
InChIInChI=1S/C18H16F3N5O2S/c1-9-11(4-13(29-9)17(28)23-8-18(19,20)21)12-6-26-7-14(24-15(26)5-22-12)25-16(27)10-2-3-10/h4-7,10H,2-3,8H2,1H3,(H,23,28)(H,25,27)
InChIKeyIFOSFSMUJFHYSE-UHFFFAOYSA-N
XLogP3.41
TPSA88.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.42
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[6-(3,4-difluoro-2-methylphenyl)imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide
CID 155081984
N-[6-(3-fluoro-2-methylphenyl)imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide
CID 154686082
4-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyrazin-6-yl]-N-(oxan-3-yl)-1,3-thiazole-2-carboxamide
CID 118357079
5-[2-(cyclopropylmethylamino)imidazo[1,2-a]pyridin-6-yl]-N-(2,2,2-trifluoroethyl)-1,3-thiazole-2-carboxamide
CID 126704328
5-amino-2-[4-(cyclopropanecarbonylamino)phenyl]sulfanyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide
CID 11699070
N-[6-[2-fluoro-6-(hydroxymethyl)-4-methylphenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide
CID 154686347
N-[6-[7-[acetamido(cyclopropyl)methyl]-6-fluoro-5-(trifluoromethyl)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]cyclopropanecarboxamide
CID 169196119
N-(6-hydroxyimidazo[1,2-a]pyridin-2-yl)cyclopropanecarboxamide
CID 58158532
2-methyl-5-(2,2,2-trifluoroethylcarbamoyl)thiophene-3-sulfonyl chloride
CID 112676712
N-[6-[3-fluoro-2-(hydroxymethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide
CID 154686210
N-[2-(cyclopropanecarbonylamino)ethyl]-4-(4-methoxyphenyl)-5-methylthiophene-2-carboxamide
CID 78779390
N-[6-(6-amino-3-pyridinyl)imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide
CID 155082189

Frequently Asked Questions

What is the IUPAC name of 4-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyrazin-6-yl]-5-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide?
The IUPAC name of 4-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyrazin-6-yl]-5-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide (CID 118357062) is 4-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyrazin-6-yl]-5-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide.
What is the SMILES notation for 4-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyrazin-6-yl]-5-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide?
The canonical SMILES for 4-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyrazin-6-yl]-5-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide is Cc1sc(C(=O)NCC(F)(F)F)cc1-c1cn2cc(NC(=O)C3CC3)nc2cn1.
What is the InChIKey of 4-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyrazin-6-yl]-5-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide?
The InChIKey is IFOSFSMUJFHYSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N5O2S/c1-9-11(4-13(29-9)17(28)23-8-18(19,20)21)12-6-26-7-14(24-15(26)5-22-12)25-16(27)10-2-3-10/h4-7,10H,2-3,8H2,1H3,(H,23,28)(H,25,27).
What are the key properties of 4-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyrazin-6-yl]-5-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide?
4-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyrazin-6-yl]-5-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide has a molecular weight of 423.42 g/mol, XLogP of 3.41, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyrazin-6-yl]-5-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide is sourced from PubChem (CID 118357062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).