6-(7-chloro-1-methylbenzimidazol-4-yl)-5-(methylamino)-3-(4-morpholin-4-ylanilino)pyrazine-2-carboxamide

C24H25ClN8O2 — CID 166484712

IUPAC6-(7-chloro-1-methylbenzimidazol-4-yl)-5-(methylamino)-3-(4-morpholin-4-ylanilino)pyrazine-2-carboxamide
SMILESCNc1nc(Nc2ccc(N3CCOCC3)cc2)c(C(N)=O)nc1-c1ccc(Cl)c2c1ncn2C
InChIInChI=1S/C24H25ClN8O2/c1-27-23-19(16-7-8-17(25)21-18(16)28-13-32(21)2)30-20(22(26)34)24(31-23)29-14-3-5-15(6-4-14)33-9-11-35-12-10-33/h3-8,13H,9-12H2,1-2H3,(H2,26,34)(H2,27,29,31)
InChIKeyVKRDCSBCYKTRAM-UHFFFAOYSA-N
MW492.97 g/mol
LogP3.40
Rot. Bonds6

About 6-(7-chloro-1-methylbenzimidazol-4-yl)-5-(methylamino)-3-(4-morpholin-4-ylanilino)pyrazine-2-carboxamide

6-(7-chloro-1-methylbenzimidazol-4-yl)-5-(methylamino)-3-(4-morpholin-4-ylanilino)pyrazine-2-carboxamide (PubChem CID 166484712) has the molecular formula C24H25ClN8O2 and a molecular weight of 492.97 g/mol. Its IUPAC name is 6-(7-chloro-1-methylbenzimidazol-4-yl)-5-(methylamino)-3-(4-morpholin-4-ylanilino)pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-(7-chloro-1-methylbenzimidazol-4-yl)-5-(methylamino)-3-(4-morpholin-4-ylanilino)pyrazine-2-carboxamide
PubChem CID166484712
Molecular FormulaC24H25ClN8O2
Molecular Weight492.97 g/mol
Exact Mass492.18
IUPAC Name6-(7-chloro-1-methylbenzimidazol-4-yl)-5-(methylamino)-3-(4-morpholin-4-ylanilino)pyrazine-2-carboxamide
SMILESCNc1nc(Nc2ccc(N3CCOCC3)cc2)c(C(N)=O)nc1-c1ccc(Cl)c2c1ncn2C
InChIInChI=1S/C24H25ClN8O2/c1-27-23-19(16-7-8-17(25)21-18(16)28-13-32(21)2)30-20(22(26)34)24(31-23)29-14-3-5-15(6-4-14)33-9-11-35-12-10-33/h3-8,13H,9-12H2,1-2H3,(H2,26,34)(H2,27,29,31)
InChIKeyVKRDCSBCYKTRAM-UHFFFAOYSA-N
XLogP3.40
TPSA123.22 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.97
LogP ≤ 53.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

6-(1-methylbenzimidazol-4-yl)-5-methylsulfanyl-3-(4-morpholin-4-ylanilino)pyrazine-2-carboxamide
CID 166485023
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-(1H-benzimidazol-4-yl)-6-methyl-3-(4-morpholin-4-ylanilino)pyrazine-2-carboxamide
CID 175847932
5-chloro-3-[4-(4-methylpiperazin-1-yl)anilino]-6-propan-2-ylpyrazine-2-carboxamide
CID 88569768
5-(methylamino)-6-(3-methylimidazo[4,5-c]pyridin-7-yl)-3-[(2-methyl-4-pyridinyl)amino]pyrazine-2-carboxamide
CID 166484714
6-(1H-benzimidazol-4-yl)-N-methyl-3-(4-morpholin-4-ylanilino)-5-(pyridin-2-ylamino)pyrazine-2-carboxamide
CID 175847955
methyl 5-(methylamino)-6-(3-methylimidazo[4,5-c]pyridin-7-yl)-3-[(5-methyl-6-morpholin-4-yl-3-pyridinyl)amino]pyrazine-2-carboxylate
CID 166484750
methyl 3-(4-acetamidoanilino)-5-(methylamino)-6-(1-methylbenzimidazol-4-yl)pyrazine-2-carboxylate
CID 171063492
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
3-(4-piperidin-1-ylanilino)quinoxaline-2-carboxamide
CID 11772395
5-chloro-3-[4-(4-methyl-1,4-azaborinan-1-yl)anilino]pyrazine-2-carboxamide
CID 87092140
[4-amino-2-(4-morpholin-4-ylanilino)-1,3-thiazol-5-yl]-(1,5-dimethylimidazol-4-yl)methanone
CID 18521922

Frequently Asked Questions

What is the IUPAC name of 6-(7-chloro-1-methylbenzimidazol-4-yl)-5-(methylamino)-3-(4-morpholin-4-ylanilino)pyrazine-2-carboxamide?
The IUPAC name of 6-(7-chloro-1-methylbenzimidazol-4-yl)-5-(methylamino)-3-(4-morpholin-4-ylanilino)pyrazine-2-carboxamide (CID 166484712) is 6-(7-chloro-1-methylbenzimidazol-4-yl)-5-(methylamino)-3-(4-morpholin-4-ylanilino)pyrazine-2-carboxamide.
What is the SMILES notation for 6-(7-chloro-1-methylbenzimidazol-4-yl)-5-(methylamino)-3-(4-morpholin-4-ylanilino)pyrazine-2-carboxamide?
The canonical SMILES for 6-(7-chloro-1-methylbenzimidazol-4-yl)-5-(methylamino)-3-(4-morpholin-4-ylanilino)pyrazine-2-carboxamide is CNc1nc(Nc2ccc(N3CCOCC3)cc2)c(C(N)=O)nc1-c1ccc(Cl)c2c1ncn2C.
What is the InChIKey of 6-(7-chloro-1-methylbenzimidazol-4-yl)-5-(methylamino)-3-(4-morpholin-4-ylanilino)pyrazine-2-carboxamide?
The InChIKey is VKRDCSBCYKTRAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN8O2/c1-27-23-19(16-7-8-17(25)21-18(16)28-13-32(21)2)30-20(22(26)34)24(31-23)29-14-3-5-15(6-4-14)33-9-11-35-12-10-33/h3-8,13H,9-12H2,1-2H3,(H2,26,34)(H2,27,29,31).
What are the key properties of 6-(7-chloro-1-methylbenzimidazol-4-yl)-5-(methylamino)-3-(4-morpholin-4-ylanilino)pyrazine-2-carboxamide?
6-(7-chloro-1-methylbenzimidazol-4-yl)-5-(methylamino)-3-(4-morpholin-4-ylanilino)pyrazine-2-carboxamide has a molecular weight of 492.97 g/mol, XLogP of 3.40, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(7-chloro-1-methylbenzimidazol-4-yl)-5-(methylamino)-3-(4-morpholin-4-ylanilino)pyrazine-2-carboxamide is sourced from PubChem (CID 166484712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).