2-[6-[5-(dimethylamino)-3-pyridinyl]cinnolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone

C27H29N7O — CID 157303502

IUPAC2-[6-[5-(dimethylamino)-3-pyridinyl]cinnolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone
SMILESCN1CCN(c2cc(C(=O)Cc3cc4cc(-c5cncc(N(C)C)c5)ccc4nn3)ccn2)CC1
InChIInChI=1S/C27H29N7O/c1-32(2)24-14-22(17-28-18-24)19-4-5-25-21(12-19)13-23(30-31-25)16-26(35)20-6-7-29-27(15-20)34-10-8-33(3)9-11-34/h4-7,12-15,17-18H,8-11,16H2,1-3H3
InChIKeyBCEGQZMLAKCYPT-UHFFFAOYSA-N
MW467.58 g/mol
LogP3.33
Rot. Bonds6

About 2-[6-[5-(dimethylamino)-3-pyridinyl]cinnolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone

2-[6-[5-(dimethylamino)-3-pyridinyl]cinnolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone (PubChem CID 157303502) has the molecular formula C27H29N7O and a molecular weight of 467.58 g/mol. Its IUPAC name is 2-[6-[5-(dimethylamino)-3-pyridinyl]cinnolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone.

Molecular Properties

Compound Name2-[6-[5-(dimethylamino)-3-pyridinyl]cinnolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone
PubChem CID157303502
Molecular FormulaC27H29N7O
Molecular Weight467.58 g/mol
Exact Mass467.24
IUPAC Name2-[6-[5-(dimethylamino)-3-pyridinyl]cinnolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone
SMILESCN1CCN(c2cc(C(=O)Cc3cc4cc(-c5cncc(N(C)C)c5)ccc4nn3)ccn2)CC1
InChIInChI=1S/C27H29N7O/c1-32(2)24-14-22(17-28-18-24)19-4-5-25-21(12-19)13-23(30-31-25)16-26(35)20-6-7-29-27(15-20)34-10-8-33(3)9-11-34/h4-7,12-15,17-18H,8-11,16H2,1-3H3
InChIKeyBCEGQZMLAKCYPT-UHFFFAOYSA-N
XLogP3.33
TPSA78.35 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.58
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-[6-[5-(dimethylamino)-3-pyridinyl]cinnolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone with MolForge

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Related Compounds

1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-(6-pyridin-4-ylcinnolin-3-yl)ethanone
CID 159421028
1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[6-(1H-pyrrolo[3,2-b]pyridin-6-yl)cinnolin-3-yl]ethanone
CID 158755654
1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[6-(6-pyrrolidin-1-ylpyrazin-2-yl)cinnolin-3-yl]ethanone
CID 159180378
2-[6-[5-(dimethylamino)-3-pyridinyl]-2,7-naphthyridin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone
CID 159696630
1-[2-(4-methyl-1,4-diazepan-1-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]ethanone
CID 161061645
1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[6-(1-methyltriazol-4-yl)cinnolin-3-yl]ethanone
CID 147183577
2-[6-[6-(tert-butylamino)pyrazin-2-yl]cinnolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone
CID 159029466
2-[3-(5-methoxy-3-pyridinyl)-1,7-naphthyridin-6-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone
CID 159031337
1-[5-[6-[2-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-oxoethyl]-1,7-naphthyridin-3-yl]-3-pyridinyl]propan-1-one
CID 159131291
1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]ethanone
CID 147043069
2-[6-[6-(dimethylamino)pyrazin-2-yl]-2,7-naphthyridin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone
CID 158985268
1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[3-(1H-pyrrolo[2,3-c]pyridin-4-yl)-1,7-naphthyridin-6-yl]ethanone
CID 161188448

Frequently Asked Questions

What is the IUPAC name of 2-[6-[5-(dimethylamino)-3-pyridinyl]cinnolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone?
The IUPAC name of 2-[6-[5-(dimethylamino)-3-pyridinyl]cinnolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone (CID 157303502) is 2-[6-[5-(dimethylamino)-3-pyridinyl]cinnolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone.
What is the SMILES notation for 2-[6-[5-(dimethylamino)-3-pyridinyl]cinnolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone?
The canonical SMILES for 2-[6-[5-(dimethylamino)-3-pyridinyl]cinnolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone is CN1CCN(c2cc(C(=O)Cc3cc4cc(-c5cncc(N(C)C)c5)ccc4nn3)ccn2)CC1.
What is the InChIKey of 2-[6-[5-(dimethylamino)-3-pyridinyl]cinnolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone?
The InChIKey is BCEGQZMLAKCYPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N7O/c1-32(2)24-14-22(17-28-18-24)19-4-5-25-21(12-19)13-23(30-31-25)16-26(35)20-6-7-29-27(15-20)34-10-8-33(3)9-11-34/h4-7,12-15,17-18H,8-11,16H2,1-3H3.
What are the key properties of 2-[6-[5-(dimethylamino)-3-pyridinyl]cinnolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone?
2-[6-[5-(dimethylamino)-3-pyridinyl]cinnolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone has a molecular weight of 467.58 g/mol, XLogP of 3.33, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[5-(dimethylamino)-3-pyridinyl]cinnolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone is sourced from PubChem (CID 157303502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).