1-[3-acetyl-6-[5-[(6-methyl-3,4-dihydropyridazin-3-yl)amino]benzimidazol-1-yl]-3,4-dihydropyridin-2-yl]-5-methylpyrazole-3-carbonitrile

C24H23N9O — CID 172878940

IUPAC1-[3-acetyl-6-[5-[(6-methyl-3,4-dihydropyridazin-3-yl)amino]benzimidazol-1-yl]-3,4-dihydropyridin-2-yl]-5-methylpyrazole-3-carbonitrile
SMILESCC(=O)C1CC=C(n2cnc3cc(NC4CC=C(C)N=N4)ccc32)N=C1n1nc(C#N)cc1C
InChIInChI=1S/C24H23N9O/c1-14-4-8-22(30-29-14)27-17-5-7-21-20(11-17)26-13-32(21)23-9-6-19(16(3)34)24(28-23)33-15(2)10-18(12-25)31-33/h4-5,7,9-11,13,19,22,27H,6,8H2,1-3H3
InChIKeyIVZRUXWRGYYBFE-UHFFFAOYSA-N
MW453.51 g/mol
LogP4.26
Rot. Bonds4

About 1-[3-acetyl-6-[5-[(6-methyl-3,4-dihydropyridazin-3-yl)amino]benzimidazol-1-yl]-3,4-dihydropyridin-2-yl]-5-methylpyrazole-3-carbonitrile

1-[3-acetyl-6-[5-[(6-methyl-3,4-dihydropyridazin-3-yl)amino]benzimidazol-1-yl]-3,4-dihydropyridin-2-yl]-5-methylpyrazole-3-carbonitrile (PubChem CID 172878940) has the molecular formula C24H23N9O and a molecular weight of 453.51 g/mol. Its IUPAC name is 1-[3-acetyl-6-[5-[(6-methyl-3,4-dihydropyridazin-3-yl)amino]benzimidazol-1-yl]-3,4-dihydropyridin-2-yl]-5-methylpyrazole-3-carbonitrile.

Molecular Properties

Compound Name1-[3-acetyl-6-[5-[(6-methyl-3,4-dihydropyridazin-3-yl)amino]benzimidazol-1-yl]-3,4-dihydropyridin-2-yl]-5-methylpyrazole-3-carbonitrile
PubChem CID172878940
Molecular FormulaC24H23N9O
Molecular Weight453.51 g/mol
Exact Mass453.20
IUPAC Name1-[3-acetyl-6-[5-[(6-methyl-3,4-dihydropyridazin-3-yl)amino]benzimidazol-1-yl]-3,4-dihydropyridin-2-yl]-5-methylpyrazole-3-carbonitrile
SMILESCC(=O)C1CC=C(n2cnc3cc(NC4CC=C(C)N=N4)ccc32)N=C1n1nc(C#N)cc1C
InChIInChI=1S/C24H23N9O/c1-14-4-8-22(30-29-14)27-17-5-7-21-20(11-17)26-13-32(21)23-9-6-19(16(3)34)24(28-23)33-15(2)10-18(12-25)31-33/h4-5,7,9-11,13,19,22,27H,6,8H2,1-3H3
InChIKeyIVZRUXWRGYYBFE-UHFFFAOYSA-N
XLogP4.26
TPSA125.61 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.51
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 1-[3-acetyl-6-[5-[(6-methyl-3,4-dihydropyridazin-3-yl)amino]benzimidazol-1-yl]-3,4-dihydropyridin-2-yl]-5-methylpyrazole-3-carbonitrile with MolForge

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Related Compounds

acetaldehyde;2-(3-cyano-5-methylpyrazol-1-yl)-6-[5-[(4-fluoropyrrolidin-3-yl)amino]benzimidazol-1-yl]pyridine-3-carboxamide
CID 168991266
1-[3-(1-hydroxyethyl)-6-[5-[(2-methylpyrimidin-5-yl)amino]benzimidazol-1-yl]-2-pyridinyl]-5-methylpyrazole-3-carbonitrile
CID 168991442
1-[3-acetyl-6-[5-[[6-(difluoromethoxy)pyridazin-3-yl]amino]benzimidazol-1-yl]-2-pyridinyl]-5-methylpyrazole-3-carbonitrile
CID 168991744
1-[3-(1-hydroxyethyl)-6-[5-[(6-methyl-3-pyridinyl)amino]benzimidazol-1-yl]-2-pyridinyl]-5-methylpyrazole-3-carbonitrile
CID 168991440
1-[3-(1-hydroxyethyl)-6-[5-[(4-methoxypyridazin-3-yl)amino]benzimidazol-1-yl]-2-pyridinyl]-5-methylpyrazole-3-carbonitrile
CID 168991407
2-methyl-6-[(1-phenylbenzimidazol-5-yl)amino]pyrimidine-4-carbonitrile
CID 154795798
1-[3-(1-hydroxyethyl)-6-[5-[(6-methyl-4-methylsulfonylpyridazin-3-yl)amino]benzimidazol-1-yl]-2-pyridinyl]-5-methylpyrazole-3-carbonitrile
CID 168991848
1-[3-[(2S,4R)-4-fluoropyrrolidin-2-yl]-6-[5-[(6-methylpyridazin-3-yl)amino]benzimidazol-1-yl]-2-pyridinyl]-5-methylpyrazole-3-carbonitrile
CID 176675310
N-(1-tert-butylbenzimidazol-5-yl)acetamide
CID 749161
2-cyano-N-[1-(3-methylphenyl)benzimidazol-5-yl]acetamide
CID 168521648
1-[3-(2-acetylphenyl)phenyl]benzimidazole-5-carbonitrile
CID 24768643
3-cyano-N-(1-methylbenzimidazol-5-yl)benzamide
CID 110728522

Frequently Asked Questions

What is the IUPAC name of 1-[3-acetyl-6-[5-[(6-methyl-3,4-dihydropyridazin-3-yl)amino]benzimidazol-1-yl]-3,4-dihydropyridin-2-yl]-5-methylpyrazole-3-carbonitrile?
The IUPAC name of 1-[3-acetyl-6-[5-[(6-methyl-3,4-dihydropyridazin-3-yl)amino]benzimidazol-1-yl]-3,4-dihydropyridin-2-yl]-5-methylpyrazole-3-carbonitrile (CID 172878940) is 1-[3-acetyl-6-[5-[(6-methyl-3,4-dihydropyridazin-3-yl)amino]benzimidazol-1-yl]-3,4-dihydropyridin-2-yl]-5-methylpyrazole-3-carbonitrile.
What is the SMILES notation for 1-[3-acetyl-6-[5-[(6-methyl-3,4-dihydropyridazin-3-yl)amino]benzimidazol-1-yl]-3,4-dihydropyridin-2-yl]-5-methylpyrazole-3-carbonitrile?
The canonical SMILES for 1-[3-acetyl-6-[5-[(6-methyl-3,4-dihydropyridazin-3-yl)amino]benzimidazol-1-yl]-3,4-dihydropyridin-2-yl]-5-methylpyrazole-3-carbonitrile is CC(=O)C1CC=C(n2cnc3cc(NC4CC=C(C)N=N4)ccc32)N=C1n1nc(C#N)cc1C.
What is the InChIKey of 1-[3-acetyl-6-[5-[(6-methyl-3,4-dihydropyridazin-3-yl)amino]benzimidazol-1-yl]-3,4-dihydropyridin-2-yl]-5-methylpyrazole-3-carbonitrile?
The InChIKey is IVZRUXWRGYYBFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N9O/c1-14-4-8-22(30-29-14)27-17-5-7-21-20(11-17)26-13-32(21)23-9-6-19(16(3)34)24(28-23)33-15(2)10-18(12-25)31-33/h4-5,7,9-11,13,19,22,27H,6,8H2,1-3H3.
What are the key properties of 1-[3-acetyl-6-[5-[(6-methyl-3,4-dihydropyridazin-3-yl)amino]benzimidazol-1-yl]-3,4-dihydropyridin-2-yl]-5-methylpyrazole-3-carbonitrile?
1-[3-acetyl-6-[5-[(6-methyl-3,4-dihydropyridazin-3-yl)amino]benzimidazol-1-yl]-3,4-dihydropyridin-2-yl]-5-methylpyrazole-3-carbonitrile has a molecular weight of 453.51 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-acetyl-6-[5-[(6-methyl-3,4-dihydropyridazin-3-yl)amino]benzimidazol-1-yl]-3,4-dihydropyridin-2-yl]-5-methylpyrazole-3-carbonitrile is sourced from PubChem (CID 172878940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).