6-(1-methylbenzimidazol-4-yl)-5-methylsulfanyl-3-(4-morpholin-4-ylanilino)pyrazine-2-carboxamide

C24H25N7O2S — CID 166485023

IUPAC6-(1-methylbenzimidazol-4-yl)-5-methylsulfanyl-3-(4-morpholin-4-ylanilino)pyrazine-2-carboxamide
SMILESCSc1nc(Nc2ccc(N3CCOCC3)cc2)c(C(N)=O)nc1-c1cccc2c1ncn2C
InChIInChI=1S/C24H25N7O2S/c1-30-14-26-19-17(4-3-5-18(19)30)20-24(34-2)29-23(21(28-20)22(25)32)27-15-6-8-16(9-7-15)31-10-12-33-13-11-31/h3-9,14H,10-13H2,1-2H3,(H2,25,32)(H,27,29)
InChIKeyVZJMHXXFPPLXSE-UHFFFAOYSA-N
MW475.58 g/mol
LogP3.43
Rot. Bonds6

About 6-(1-methylbenzimidazol-4-yl)-5-methylsulfanyl-3-(4-morpholin-4-ylanilino)pyrazine-2-carboxamide

6-(1-methylbenzimidazol-4-yl)-5-methylsulfanyl-3-(4-morpholin-4-ylanilino)pyrazine-2-carboxamide (PubChem CID 166485023) has the molecular formula C24H25N7O2S and a molecular weight of 475.58 g/mol. Its IUPAC name is 6-(1-methylbenzimidazol-4-yl)-5-methylsulfanyl-3-(4-morpholin-4-ylanilino)pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-(1-methylbenzimidazol-4-yl)-5-methylsulfanyl-3-(4-morpholin-4-ylanilino)pyrazine-2-carboxamide
PubChem CID166485023
Molecular FormulaC24H25N7O2S
Molecular Weight475.58 g/mol
Exact Mass475.18
IUPAC Name6-(1-methylbenzimidazol-4-yl)-5-methylsulfanyl-3-(4-morpholin-4-ylanilino)pyrazine-2-carboxamide
SMILESCSc1nc(Nc2ccc(N3CCOCC3)cc2)c(C(N)=O)nc1-c1cccc2c1ncn2C
InChIInChI=1S/C24H25N7O2S/c1-30-14-26-19-17(4-3-5-18(19)30)20-24(34-2)29-23(21(28-20)22(25)32)27-15-6-8-16(9-7-15)31-10-12-33-13-11-31/h3-9,14H,10-13H2,1-2H3,(H2,25,32)(H,27,29)
InChIKeyVZJMHXXFPPLXSE-UHFFFAOYSA-N
XLogP3.43
TPSA111.19 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.58
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 6-(1-methylbenzimidazol-4-yl)-5-methylsulfanyl-3-(4-morpholin-4-ylanilino)pyrazine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(7-chloro-1-methylbenzimidazol-4-yl)-5-(methylamino)-3-(4-morpholin-4-ylanilino)pyrazine-2-carboxamide
CID 166484712
5-(1H-benzimidazol-4-yl)-6-methyl-3-(4-morpholin-4-ylanilino)pyrazine-2-carboxamide
CID 175847932
5-(3-methylimidazo[4,5-c]pyridin-7-yl)-6-methylsulfanyl-N-(4-morpholin-4-ylphenyl)pyrazin-2-amine
CID 172735668
3-(1,3-dihydro-2-benzothiophen-5-ylamino)-5-methyl-6-(1-methylbenzimidazol-4-yl)pyrazine-2-carboxamide
CID 166485026
methyl 3-(4-acetamidoanilino)-5-(methylamino)-6-(1-methylbenzimidazol-4-yl)pyrazine-2-carboxylate
CID 171063492
6-(1H-benzimidazol-4-yl)-N-methyl-3-(4-morpholin-4-ylanilino)-5-(pyridin-2-ylamino)pyrazine-2-carboxamide
CID 175847955
6-methylidene-3-[4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]anilino]-5-(oxan-4-yl)pyrazino[2,3-c]isoquinoline-2-carboxamide
CID 162440805
5-chloro-3-[4-(4-methylpiperazin-1-yl)anilino]-6-propan-2-ylpyrazine-2-carboxamide
CID 88569768
2-methylsulfanyl-4-[[2-(4-morpholin-4-ylanilino)-4-pyridinyl]amino]-1,3-thiazole-5-carboxamide
CID 117076406
methyl 3-(2-chloro-4-morpholin-4-ylanilino)-5-(methylamino)-6-(3-methylimidazo[4,5-c]pyridin-7-yl)pyrazine-2-carboxylate
CID 166484893
5-cyclopropyl-3-[4-(2-hydroxypropan-2-yl)anilino]-6-(3-methylimidazo[4,5-c]pyridin-7-yl)pyrazine-2-carboxamide
CID 166484994
3-[4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]anilino]-6-(3-methyl-4-pyridinyl)-5-(oxan-4-ylamino)pyrazine-2-carboxamide
CID 168769443

Frequently Asked Questions

What is the IUPAC name of 6-(1-methylbenzimidazol-4-yl)-5-methylsulfanyl-3-(4-morpholin-4-ylanilino)pyrazine-2-carboxamide?
The IUPAC name of 6-(1-methylbenzimidazol-4-yl)-5-methylsulfanyl-3-(4-morpholin-4-ylanilino)pyrazine-2-carboxamide (CID 166485023) is 6-(1-methylbenzimidazol-4-yl)-5-methylsulfanyl-3-(4-morpholin-4-ylanilino)pyrazine-2-carboxamide.
What is the SMILES notation for 6-(1-methylbenzimidazol-4-yl)-5-methylsulfanyl-3-(4-morpholin-4-ylanilino)pyrazine-2-carboxamide?
The canonical SMILES for 6-(1-methylbenzimidazol-4-yl)-5-methylsulfanyl-3-(4-morpholin-4-ylanilino)pyrazine-2-carboxamide is CSc1nc(Nc2ccc(N3CCOCC3)cc2)c(C(N)=O)nc1-c1cccc2c1ncn2C.
What is the InChIKey of 6-(1-methylbenzimidazol-4-yl)-5-methylsulfanyl-3-(4-morpholin-4-ylanilino)pyrazine-2-carboxamide?
The InChIKey is VZJMHXXFPPLXSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N7O2S/c1-30-14-26-19-17(4-3-5-18(19)30)20-24(34-2)29-23(21(28-20)22(25)32)27-15-6-8-16(9-7-15)31-10-12-33-13-11-31/h3-9,14H,10-13H2,1-2H3,(H2,25,32)(H,27,29).
What are the key properties of 6-(1-methylbenzimidazol-4-yl)-5-methylsulfanyl-3-(4-morpholin-4-ylanilino)pyrazine-2-carboxamide?
6-(1-methylbenzimidazol-4-yl)-5-methylsulfanyl-3-(4-morpholin-4-ylanilino)pyrazine-2-carboxamide has a molecular weight of 475.58 g/mol, XLogP of 3.43, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-methylbenzimidazol-4-yl)-5-methylsulfanyl-3-(4-morpholin-4-ylanilino)pyrazine-2-carboxamide is sourced from PubChem (CID 166485023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).