N-[5-[(2-bromopyridine-4-carbonyl)amino]-2-methylphenyl]thieno[2,3-b]pyrazine-6-carboxamide;N-[2-methyl-5-[(2-pyrrolidin-1-ylpyridine-4-carbonyl)amino]phenyl]thieno[2,3-b]pyrazine-6-carboxamide

C44H36BrN11O4S2 — CID 158950386

IUPACN-[5-[(2-bromopyridine-4-carbonyl)amino]-2-methylphenyl]thieno[2,3-b]pyrazine-6-carboxamide;N-[2-methyl-5-[(2-pyrrolidin-1-ylpyridine-4-carbonyl)amino]phenyl]thieno[2,3-b]pyrazine-6-carboxamide
SMILESCc1ccc(NC(=O)c2ccnc(Br)c2)cc1NC(=O)c1cc2nccnc2s1.Cc1ccc(NC(=O)c2ccnc(N3CCCC3)c2)cc1NC(=O)c1cc2nccnc2s1
InChIInChI=1S/C24H22N6O2S.C20H14BrN5O2S/c1-15-4-5-17(28-22(31)16-6-7-26-21(12-16)30-10-2-3-11-30)13-18(15)29-23(32)20-14-19-24(33-20)27-9-8-25-19;1-11-2-3-13(25-18(27)12-4-5-23-17(21)8-12)9-14(11)26-19(28)16-10-15-20(29-16)24-7-6-22-15/h4-9,12-14H,2-3,10-11H2,1H3,(H,28,31)(H,29,32);2-10H,1H3,(H,25,27)(H,26,28)
InChIKeyJLISGKIJGBGZNX-UHFFFAOYSA-N
MW926.88 g/mol
LogP9.16
Rot. Bonds9

About N-[5-[(2-bromopyridine-4-carbonyl)amino]-2-methylphenyl]thieno[2,3-b]pyrazine-6-carboxamide;N-[2-methyl-5-[(2-pyrrolidin-1-ylpyridine-4-carbonyl)amino]phenyl]thieno[2,3-b]pyrazine-6-carboxamide

N-[5-[(2-bromopyridine-4-carbonyl)amino]-2-methylphenyl]thieno[2,3-b]pyrazine-6-carboxamide;N-[2-methyl-5-[(2-pyrrolidin-1-ylpyridine-4-carbonyl)amino]phenyl]thieno[2,3-b]pyrazine-6-carboxamide (PubChem CID 158950386) has the molecular formula C44H36BrN11O4S2 and a molecular weight of 926.88 g/mol. Its IUPAC name is N-[5-[(2-bromopyridine-4-carbonyl)amino]-2-methylphenyl]thieno[2,3-b]pyrazine-6-carboxamide;N-[2-methyl-5-[(2-pyrrolidin-1-ylpyridine-4-carbonyl)amino]phenyl]thieno[2,3-b]pyrazine-6-carboxamide.

Molecular Properties

Compound NameN-[5-[(2-bromopyridine-4-carbonyl)amino]-2-methylphenyl]thieno[2,3-b]pyrazine-6-carboxamide;N-[2-methyl-5-[(2-pyrrolidin-1-ylpyridine-4-carbonyl)amino]phenyl]thieno[2,3-b]pyrazine-6-carboxamide
PubChem CID158950386
Molecular FormulaC44H36BrN11O4S2
Molecular Weight926.88 g/mol
Exact Mass925.16
IUPAC NameN-[5-[(2-bromopyridine-4-carbonyl)amino]-2-methylphenyl]thieno[2,3-b]pyrazine-6-carboxamide;N-[2-methyl-5-[(2-pyrrolidin-1-ylpyridine-4-carbonyl)amino]phenyl]thieno[2,3-b]pyrazine-6-carboxamide
SMILESCc1ccc(NC(=O)c2ccnc(Br)c2)cc1NC(=O)c1cc2nccnc2s1.Cc1ccc(NC(=O)c2ccnc(N3CCCC3)c2)cc1NC(=O)c1cc2nccnc2s1
InChIInChI=1S/C24H22N6O2S.C20H14BrN5O2S/c1-15-4-5-17(28-22(31)16-6-7-26-21(12-16)30-10-2-3-11-30)13-18(15)29-23(32)20-14-19-24(33-20)27-9-8-25-19;1-11-2-3-13(25-18(27)12-4-5-23-17(21)8-12)9-14(11)26-19(28)16-10-15-20(29-16)24-7-6-22-15/h4-9,12-14H,2-3,10-11H2,1H3,(H,28,31)(H,29,32);2-10H,1H3,(H,25,27)(H,26,28)
InChIKeyJLISGKIJGBGZNX-UHFFFAOYSA-N
XLogP9.16
TPSA196.98 Ų
H-Bond Donors4
H-Bond Acceptors13
Rotatable Bonds9
Heavy Atoms62
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500926.88
LogP ≤ 59.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze N-[5-[(2-bromopyridine-4-carbonyl)amino]-2-methylphenyl]thieno[2,3-b]pyrazine-6-carboxamide;N-[2-methyl-5-[(2-pyrrolidin-1-ylpyridine-4-carbonyl)amino]phenyl]thieno[2,3-b]pyrazine-6-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(2-bromopyridine-4-carbonyl)amino]-2-methylphenyl]thieno[2,3-b]pyrazine-6-carboxamide;N-[2-methyl-5-[(2-pyrrolidin-1-ylpyridine-4-carbonyl)amino]phenyl]thieno[2,3-b]pyrazine-6-carboxamide?
The IUPAC name of N-[5-[(2-bromopyridine-4-carbonyl)amino]-2-methylphenyl]thieno[2,3-b]pyrazine-6-carboxamide;N-[2-methyl-5-[(2-pyrrolidin-1-ylpyridine-4-carbonyl)amino]phenyl]thieno[2,3-b]pyrazine-6-carboxamide (CID 158950386) is N-[5-[(2-bromopyridine-4-carbonyl)amino]-2-methylphenyl]thieno[2,3-b]pyrazine-6-carboxamide;N-[2-methyl-5-[(2-pyrrolidin-1-ylpyridine-4-carbonyl)amino]phenyl]thieno[2,3-b]pyrazine-6-carboxamide.
What is the SMILES notation for N-[5-[(2-bromopyridine-4-carbonyl)amino]-2-methylphenyl]thieno[2,3-b]pyrazine-6-carboxamide;N-[2-methyl-5-[(2-pyrrolidin-1-ylpyridine-4-carbonyl)amino]phenyl]thieno[2,3-b]pyrazine-6-carboxamide?
The canonical SMILES for N-[5-[(2-bromopyridine-4-carbonyl)amino]-2-methylphenyl]thieno[2,3-b]pyrazine-6-carboxamide;N-[2-methyl-5-[(2-pyrrolidin-1-ylpyridine-4-carbonyl)amino]phenyl]thieno[2,3-b]pyrazine-6-carboxamide is Cc1ccc(NC(=O)c2ccnc(Br)c2)cc1NC(=O)c1cc2nccnc2s1.Cc1ccc(NC(=O)c2ccnc(N3CCCC3)c2)cc1NC(=O)c1cc2nccnc2s1.
What is the InChIKey of N-[5-[(2-bromopyridine-4-carbonyl)amino]-2-methylphenyl]thieno[2,3-b]pyrazine-6-carboxamide;N-[2-methyl-5-[(2-pyrrolidin-1-ylpyridine-4-carbonyl)amino]phenyl]thieno[2,3-b]pyrazine-6-carboxamide?
The InChIKey is JLISGKIJGBGZNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N6O2S.C20H14BrN5O2S/c1-15-4-5-17(28-22(31)16-6-7-26-21(12-16)30-10-2-3-11-30)13-18(15)29-23(32)20-14-19-24(33-20)27-9-8-25-19;1-11-2-3-13(25-18(27)12-4-5-23-17(21)8-12)9-14(11)26-19(28)16-10-15-20(29-16)24-7-6-22-15/h4-9,12-14H,2-3,10-11H2,1H3,(H,28,31)(H,29,32);2-10H,1H3,(H,25,27)(H,26,28).
What are the key properties of N-[5-[(2-bromopyridine-4-carbonyl)amino]-2-methylphenyl]thieno[2,3-b]pyrazine-6-carboxamide;N-[2-methyl-5-[(2-pyrrolidin-1-ylpyridine-4-carbonyl)amino]phenyl]thieno[2,3-b]pyrazine-6-carboxamide?
N-[5-[(2-bromopyridine-4-carbonyl)amino]-2-methylphenyl]thieno[2,3-b]pyrazine-6-carboxamide;N-[2-methyl-5-[(2-pyrrolidin-1-ylpyridine-4-carbonyl)amino]phenyl]thieno[2,3-b]pyrazine-6-carboxamide has a molecular weight of 926.88 g/mol, XLogP of 9.16, 9 rotatable bonds, 4 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2-bromopyridine-4-carbonyl)amino]-2-methylphenyl]thieno[2,3-b]pyrazine-6-carboxamide;N-[2-methyl-5-[(2-pyrrolidin-1-ylpyridine-4-carbonyl)amino]phenyl]thieno[2,3-b]pyrazine-6-carboxamide is sourced from PubChem (CID 158950386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).