5-amino-6-(6-methyl-1H-benzimidazol-2-yl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrazine-2-carboxamide

C23H25N9O — CID 54596566

IUPAC5-amino-6-(6-methyl-1H-benzimidazol-2-yl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrazine-2-carboxamide
SMILESCc1ccc2nc(-c3nc(C(=O)Nc4ccc(N5CCN(C)CC5)nc4)cnc3N)[nH]c2c1
InChIInChI=1S/C23H25N9O/c1-14-3-5-16-17(11-14)30-22(29-16)20-21(24)26-13-18(28-20)23(33)27-15-4-6-19(25-12-15)32-9-7-31(2)8-10-32/h3-6,11-13H,7-10H2,1-2H3,(H2,24,26)(H,27,33)(H,29,30)
InChIKeyCLJSSCOCXLTONW-UHFFFAOYSA-N
MW443.52 g/mol
LogP2.31
Rot. Bonds4

About 5-amino-6-(6-methyl-1H-benzimidazol-2-yl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrazine-2-carboxamide

5-amino-6-(6-methyl-1H-benzimidazol-2-yl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrazine-2-carboxamide (PubChem CID 54596566) has the molecular formula C23H25N9O and a molecular weight of 443.52 g/mol. Its IUPAC name is 5-amino-6-(6-methyl-1H-benzimidazol-2-yl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-amino-6-(6-methyl-1H-benzimidazol-2-yl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrazine-2-carboxamide
PubChem CID54596566
Molecular FormulaC23H25N9O
Molecular Weight443.52 g/mol
Exact Mass443.22
IUPAC Name5-amino-6-(6-methyl-1H-benzimidazol-2-yl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrazine-2-carboxamide
SMILESCc1ccc2nc(-c3nc(C(=O)Nc4ccc(N5CCN(C)CC5)nc4)cnc3N)[nH]c2c1
InChIInChI=1S/C23H25N9O/c1-14-3-5-16-17(11-14)30-22(29-16)20-21(24)26-13-18(28-20)23(33)27-15-4-6-19(25-12-15)32-9-7-31(2)8-10-32/h3-6,11-13H,7-10H2,1-2H3,(H2,24,26)(H,27,33)(H,29,30)
InChIKeyCLJSSCOCXLTONW-UHFFFAOYSA-N
XLogP2.31
TPSA128.95 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.52
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-amino-6-(6-methyl-1H-benzimidazol-2-yl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrazine-2-carboxamide?
The IUPAC name of 5-amino-6-(6-methyl-1H-benzimidazol-2-yl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrazine-2-carboxamide (CID 54596566) is 5-amino-6-(6-methyl-1H-benzimidazol-2-yl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrazine-2-carboxamide.
What is the SMILES notation for 5-amino-6-(6-methyl-1H-benzimidazol-2-yl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrazine-2-carboxamide?
The canonical SMILES for 5-amino-6-(6-methyl-1H-benzimidazol-2-yl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrazine-2-carboxamide is Cc1ccc2nc(-c3nc(C(=O)Nc4ccc(N5CCN(C)CC5)nc4)cnc3N)[nH]c2c1.
What is the InChIKey of 5-amino-6-(6-methyl-1H-benzimidazol-2-yl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrazine-2-carboxamide?
The InChIKey is CLJSSCOCXLTONW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N9O/c1-14-3-5-16-17(11-14)30-22(29-16)20-21(24)26-13-18(28-20)23(33)27-15-4-6-19(25-12-15)32-9-7-31(2)8-10-32/h3-6,11-13H,7-10H2,1-2H3,(H2,24,26)(H,27,33)(H,29,30).
What are the key properties of 5-amino-6-(6-methyl-1H-benzimidazol-2-yl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrazine-2-carboxamide?
5-amino-6-(6-methyl-1H-benzimidazol-2-yl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrazine-2-carboxamide has a molecular weight of 443.52 g/mol, XLogP of 2.31, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-(6-methyl-1H-benzimidazol-2-yl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrazine-2-carboxamide is sourced from PubChem (CID 54596566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).