5-(1H-benzimidazol-4-yl)-6-methyl-3-(4-morpholin-4-ylanilino)pyrazine-2-carboxamide

C23H23N7O2 — CID 175847932

IUPAC5-(1H-benzimidazol-4-yl)-6-methyl-3-(4-morpholin-4-ylanilino)pyrazine-2-carboxamide
SMILESCc1nc(C(N)=O)c(Nc2ccc(N3CCOCC3)cc2)nc1-c1cccc2[nH]cnc12
InChIInChI=1S/C23H23N7O2/c1-14-19(17-3-2-4-18-20(17)26-13-25-18)29-23(21(27-14)22(24)31)28-15-5-7-16(8-6-15)30-9-11-32-12-10-30/h2-8,13H,9-12H2,1H3,(H2,24,31)(H,25,26)(H,28,29)
InChIKeyZFEOMFKMDYOLAI-UHFFFAOYSA-N
MW429.48 g/mol
LogP3.01
Rot. Bonds5

About 5-(1H-benzimidazol-4-yl)-6-methyl-3-(4-morpholin-4-ylanilino)pyrazine-2-carboxamide

5-(1H-benzimidazol-4-yl)-6-methyl-3-(4-morpholin-4-ylanilino)pyrazine-2-carboxamide (PubChem CID 175847932) has the molecular formula C23H23N7O2 and a molecular weight of 429.48 g/mol. Its IUPAC name is 5-(1H-benzimidazol-4-yl)-6-methyl-3-(4-morpholin-4-ylanilino)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(1H-benzimidazol-4-yl)-6-methyl-3-(4-morpholin-4-ylanilino)pyrazine-2-carboxamide
PubChem CID175847932
Molecular FormulaC23H23N7O2
Molecular Weight429.48 g/mol
Exact Mass429.19
IUPAC Name5-(1H-benzimidazol-4-yl)-6-methyl-3-(4-morpholin-4-ylanilino)pyrazine-2-carboxamide
SMILESCc1nc(C(N)=O)c(Nc2ccc(N3CCOCC3)cc2)nc1-c1cccc2[nH]cnc12
InChIInChI=1S/C23H23N7O2/c1-14-19(17-3-2-4-18-20(17)26-13-25-18)29-23(21(27-14)22(24)31)28-15-5-7-16(8-6-15)30-9-11-32-12-10-30/h2-8,13H,9-12H2,1H3,(H2,24,31)(H,25,26)(H,28,29)
InChIKeyZFEOMFKMDYOLAI-UHFFFAOYSA-N
XLogP3.01
TPSA122.05 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.48
LogP ≤ 53.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

6-(1H-benzimidazol-4-yl)-N-methyl-3-(4-morpholin-4-ylanilino)-5-(pyridin-2-ylamino)pyrazine-2-carboxamide
CID 175847955
6-(1-methylbenzimidazol-4-yl)-5-methylsulfanyl-3-(4-morpholin-4-ylanilino)pyrazine-2-carboxamide
CID 166485023
4-[6-(4-morpholin-4-ylanilino)-7H-purin-2-yl]benzamide
CID 117080367
6-(7-chloro-1-methylbenzimidazol-4-yl)-5-(methylamino)-3-(4-morpholin-4-ylanilino)pyrazine-2-carboxamide
CID 166484712
3-[[5-(4-morpholin-4-ylanilino)-4-oxo-3H-pyrido[4,3-d]pyrimidin-7-yl]amino]benzamide
CID 135870890
5-(cyclobutylamino)-6-(1H-indol-4-yl)-3-[4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]anilino]pyrazine-2-carboxamide
CID 168769346
6-morpholin-4-yl-1H-benzimidazole-4-carboxamide
CID 123491353
3-(4-piperidin-1-ylanilino)quinoxaline-2-carboxamide
CID 11772395
2-(3-aminophenyl)-N-(4-morpholin-4-ylphenyl)-7H-purin-6-amine
CID 117079432
3-(1,3-dihydro-2-benzothiophen-5-ylamino)-5-methyl-6-(1-methylbenzimidazol-4-yl)pyrazine-2-carboxamide
CID 166485026
6-(2-isocyano-3-methoxyphenyl)-3-[4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]anilino]-5-(oxan-4-ylamino)pyrazine-2-carboxamide
CID 168769587
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

Frequently Asked Questions

What is the IUPAC name of 5-(1H-benzimidazol-4-yl)-6-methyl-3-(4-morpholin-4-ylanilino)pyrazine-2-carboxamide?
The IUPAC name of 5-(1H-benzimidazol-4-yl)-6-methyl-3-(4-morpholin-4-ylanilino)pyrazine-2-carboxamide (CID 175847932) is 5-(1H-benzimidazol-4-yl)-6-methyl-3-(4-morpholin-4-ylanilino)pyrazine-2-carboxamide.
What is the SMILES notation for 5-(1H-benzimidazol-4-yl)-6-methyl-3-(4-morpholin-4-ylanilino)pyrazine-2-carboxamide?
The canonical SMILES for 5-(1H-benzimidazol-4-yl)-6-methyl-3-(4-morpholin-4-ylanilino)pyrazine-2-carboxamide is Cc1nc(C(N)=O)c(Nc2ccc(N3CCOCC3)cc2)nc1-c1cccc2[nH]cnc12.
What is the InChIKey of 5-(1H-benzimidazol-4-yl)-6-methyl-3-(4-morpholin-4-ylanilino)pyrazine-2-carboxamide?
The InChIKey is ZFEOMFKMDYOLAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N7O2/c1-14-19(17-3-2-4-18-20(17)26-13-25-18)29-23(21(27-14)22(24)31)28-15-5-7-16(8-6-15)30-9-11-32-12-10-30/h2-8,13H,9-12H2,1H3,(H2,24,31)(H,25,26)(H,28,29).
What are the key properties of 5-(1H-benzimidazol-4-yl)-6-methyl-3-(4-morpholin-4-ylanilino)pyrazine-2-carboxamide?
5-(1H-benzimidazol-4-yl)-6-methyl-3-(4-morpholin-4-ylanilino)pyrazine-2-carboxamide has a molecular weight of 429.48 g/mol, XLogP of 3.01, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-benzimidazol-4-yl)-6-methyl-3-(4-morpholin-4-ylanilino)pyrazine-2-carboxamide is sourced from PubChem (CID 175847932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).