N-[3-[6-(imidazo[1,2-a]pyridin-7-ylamino)-4-methyl-5-oxopyrazin-2-yl]-2-methylphenyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide

C28H26N6O2S — CID 118728353

IUPACN-[3-[6-(imidazo[1,2-a]pyridin-7-ylamino)-4-methyl-5-oxopyrazin-2-yl]-2-methylphenyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
SMILESCc1c(NC(=O)c2cc3c(s2)CCCC3)cccc1-c1cn(C)c(=O)c(Nc2ccn3ccnc3c2)n1
InChIInChI=1S/C28H26N6O2S/c1-17-20(7-5-8-21(17)32-27(35)24-14-18-6-3-4-9-23(18)37-24)22-16-33(2)28(36)26(31-22)30-19-10-12-34-13-11-29-25(34)15-19/h5,7-8,10-16H,3-4,6,9H2,1-2H3,(H,30,31)(H,32,35)
InChIKeyVYGROVXFZCNUMO-UHFFFAOYSA-N
MW510.62 g/mol
LogP5.34
Rot. Bonds5

About N-[3-[6-(imidazo[1,2-a]pyridin-7-ylamino)-4-methyl-5-oxopyrazin-2-yl]-2-methylphenyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide

N-[3-[6-(imidazo[1,2-a]pyridin-7-ylamino)-4-methyl-5-oxopyrazin-2-yl]-2-methylphenyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide (PubChem CID 118728353) has the molecular formula C28H26N6O2S and a molecular weight of 510.62 g/mol. Its IUPAC name is N-[3-[6-(imidazo[1,2-a]pyridin-7-ylamino)-4-methyl-5-oxopyrazin-2-yl]-2-methylphenyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-[6-(imidazo[1,2-a]pyridin-7-ylamino)-4-methyl-5-oxopyrazin-2-yl]-2-methylphenyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
PubChem CID118728353
Molecular FormulaC28H26N6O2S
Molecular Weight510.62 g/mol
Exact Mass510.18
IUPAC NameN-[3-[6-(imidazo[1,2-a]pyridin-7-ylamino)-4-methyl-5-oxopyrazin-2-yl]-2-methylphenyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
SMILESCc1c(NC(=O)c2cc3c(s2)CCCC3)cccc1-c1cn(C)c(=O)c(Nc2ccn3ccnc3c2)n1
InChIInChI=1S/C28H26N6O2S/c1-17-20(7-5-8-21(17)32-27(35)24-14-18-6-3-4-9-23(18)37-24)22-16-33(2)28(36)26(31-22)30-19-10-12-34-13-11-29-25(34)15-19/h5,7-8,10-16H,3-4,6,9H2,1-2H3,(H,30,31)(H,32,35)
InChIKeyVYGROVXFZCNUMO-UHFFFAOYSA-N
XLogP5.34
TPSA93.32 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.62
LogP ≤ 55.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[3-[6-(imidazo[1,2-a]pyridin-7-ylamino)-4-methyl-5-oxopyrazin-2-yl]-2-methylphenyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide with MolForge

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Related Compounds

N-(3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl)thiophene-2-carboxamide
CID 7080336
N-[(2E)-5-[benzene(methyl)amido]-1-(2-carbamoylethyl)-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]-5-(pyridin-2-yl)thiophene-2-carboxamide
CID 11237786
N-[(2E)-5-[benzene(methyl)amido]-1-(2-carbamoylethyl)-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]-5-(pyridin-4-yl)thiophene-2-carboxamide
CID 11489351
N-[(2E)-5-[benzene(methyl)amido]-1-(2-carbamoylethyl)-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]-5-(pyridin-3-yl)thiophene-2-carboxamide
CID 25190527
N-[(2E)-5-[benzene(methyl)amido]-1-(2-carbamoylethyl)-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]-5-(pyrazin-2-yl)thiophene-2-carboxamide
CID 25190535
N-[(2E)-5-[benzene(methyl)amido]-1-(2-carbamoylethyl)-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]-5-(2-fluoropyridin-4-yl)thiophene-2-carboxamide
CID 25190541
N-[(2E)-5-[benzene(methyl)amido]-1-(2-carbamoylethyl)-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]-5-(6-fluoropyridin-3-yl)thiophene-2-carboxamide
CID 25190543
N-Cyclopropyl-4-{8-[(Thiophen-2-Ylmethyl)amino]imidazo[1,2-A]pyrazin-3-Yl}benzamide
CID 57382314
2-Aminobenzimidazole with trans-stilbene, 8x
CID 25169253
2-Aminobenzimidazole with trans-stilbene, 8g
CID 25190549
2-Aminobenzimidazole with trans-stilbene, 8a
CID 25190550
2-Aminobenzimidazole with trans-stilbene, 8d
CID 25190551

Frequently Asked Questions

What is the IUPAC name of N-[3-[6-(imidazo[1,2-a]pyridin-7-ylamino)-4-methyl-5-oxopyrazin-2-yl]-2-methylphenyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide?
The IUPAC name of N-[3-[6-(imidazo[1,2-a]pyridin-7-ylamino)-4-methyl-5-oxopyrazin-2-yl]-2-methylphenyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide (CID 118728353) is N-[3-[6-(imidazo[1,2-a]pyridin-7-ylamino)-4-methyl-5-oxopyrazin-2-yl]-2-methylphenyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-[3-[6-(imidazo[1,2-a]pyridin-7-ylamino)-4-methyl-5-oxopyrazin-2-yl]-2-methylphenyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-[3-[6-(imidazo[1,2-a]pyridin-7-ylamino)-4-methyl-5-oxopyrazin-2-yl]-2-methylphenyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide is Cc1c(NC(=O)c2cc3c(s2)CCCC3)cccc1-c1cn(C)c(=O)c(Nc2ccn3ccnc3c2)n1.
What is the InChIKey of N-[3-[6-(imidazo[1,2-a]pyridin-7-ylamino)-4-methyl-5-oxopyrazin-2-yl]-2-methylphenyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide?
The InChIKey is VYGROVXFZCNUMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N6O2S/c1-17-20(7-5-8-21(17)32-27(35)24-14-18-6-3-4-9-23(18)37-24)22-16-33(2)28(36)26(31-22)30-19-10-12-34-13-11-29-25(34)15-19/h5,7-8,10-16H,3-4,6,9H2,1-2H3,(H,30,31)(H,32,35).
What are the key properties of N-[3-[6-(imidazo[1,2-a]pyridin-7-ylamino)-4-methyl-5-oxopyrazin-2-yl]-2-methylphenyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide?
N-[3-[6-(imidazo[1,2-a]pyridin-7-ylamino)-4-methyl-5-oxopyrazin-2-yl]-2-methylphenyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide has a molecular weight of 510.62 g/mol, XLogP of 5.34, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[6-(imidazo[1,2-a]pyridin-7-ylamino)-4-methyl-5-oxopyrazin-2-yl]-2-methylphenyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 118728353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).