1-(4-methyl-1,4-diazepan-1-yl)-3-(6-pyridin-3-ylcinnolin-3-yl)propan-2-one

C22H25N5O — CID 147268962

IUPAC1-(4-methyl-1,4-diazepan-1-yl)-3-(6-pyridin-3-ylcinnolin-3-yl)propan-2-one
SMILESCN1CCCN(CC(=O)Cc2cc3cc(-c4cccnc4)ccc3nn2)CC1
InChIInChI=1S/C22H25N5O/c1-26-8-3-9-27(11-10-26)16-21(28)14-20-13-19-12-17(5-6-22(19)25-24-20)18-4-2-7-23-15-18/h2,4-7,12-13,15H,3,8-11,14,16H2,1H3
InChIKeyCQAWDYXOTOUQMI-UHFFFAOYSA-N
MW375.48 g/mol
LogP2.44
Rot. Bonds5

About 1-(4-methyl-1,4-diazepan-1-yl)-3-(6-pyridin-3-ylcinnolin-3-yl)propan-2-one

1-(4-methyl-1,4-diazepan-1-yl)-3-(6-pyridin-3-ylcinnolin-3-yl)propan-2-one (PubChem CID 147268962) has the molecular formula C22H25N5O and a molecular weight of 375.48 g/mol. Its IUPAC name is 1-(4-methyl-1,4-diazepan-1-yl)-3-(6-pyridin-3-ylcinnolin-3-yl)propan-2-one.

Molecular Properties

Compound Name1-(4-methyl-1,4-diazepan-1-yl)-3-(6-pyridin-3-ylcinnolin-3-yl)propan-2-one
PubChem CID147268962
Molecular FormulaC22H25N5O
Molecular Weight375.48 g/mol
Exact Mass375.21
IUPAC Name1-(4-methyl-1,4-diazepan-1-yl)-3-(6-pyridin-3-ylcinnolin-3-yl)propan-2-one
SMILESCN1CCCN(CC(=O)Cc2cc3cc(-c4cccnc4)ccc3nn2)CC1
InChIInChI=1S/C22H25N5O/c1-26-8-3-9-27(11-10-26)16-21(28)14-20-13-19-12-17(5-6-22(19)25-24-20)18-4-2-7-23-15-18/h2,4-7,12-13,15H,3,8-11,14,16H2,1H3
InChIKeyCQAWDYXOTOUQMI-UHFFFAOYSA-N
XLogP2.44
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-(4-methyl-1,4-diazepan-1-yl)-3-(6-pyridin-3-ylcinnolin-3-yl)propan-2-one with MolForge

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Related Compounds

1-(4-methyl-1,4-diazepan-1-yl)-3-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]propan-2-one
CID 158767293
1-(4-methylpiperazin-1-yl)-3-(3-pyridin-3-yl-1,7-naphthyridin-6-yl)propan-2-one
CID 149083889
1-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]-3-pyrrolidin-1-ylpropan-2-one
CID 147925750
1-(4-methylpiperazin-1-yl)-3-(6-pyridin-3-yl-2,7-naphthyridin-3-yl)propan-2-one
CID 158847291
2-(4-methyl-1,4-diazepan-1-yl)-N-(3-pyridin-3-yl-1,7-naphthyridin-6-yl)acetamide
CID 138589967
1-(4-methylpiperazin-1-yl)-3-(2-pyridin-3-yl-1,6-naphthyridin-7-yl)propan-2-one
CID 162101609
1-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]-3-morpholin-4-ylpropan-2-one
CID 148508594
1-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]-3-(2,2,5,5-tetradeuteriopyrrolidin-1-yl)propan-2-one
CID 158712365
1-[4-[(4-methylpiperazin-1-yl)methyl]cyclohexyl]-2-[6-(1,3-oxazol-5-yl)cinnolin-3-yl]ethanone
CID 159551559
1-[2-(4-methyl-1,4-diazepan-1-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]ethanone
CID 161061645
1-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]ethanone
CID 147887718
1-(4-methoxypiperidin-1-yl)-3-[6-(2-methyl-1,3-oxazol-5-yl)cinnolin-3-yl]propan-2-one
CID 148679772

Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-1,4-diazepan-1-yl)-3-(6-pyridin-3-ylcinnolin-3-yl)propan-2-one?
The IUPAC name of 1-(4-methyl-1,4-diazepan-1-yl)-3-(6-pyridin-3-ylcinnolin-3-yl)propan-2-one (CID 147268962) is 1-(4-methyl-1,4-diazepan-1-yl)-3-(6-pyridin-3-ylcinnolin-3-yl)propan-2-one.
What is the SMILES notation for 1-(4-methyl-1,4-diazepan-1-yl)-3-(6-pyridin-3-ylcinnolin-3-yl)propan-2-one?
The canonical SMILES for 1-(4-methyl-1,4-diazepan-1-yl)-3-(6-pyridin-3-ylcinnolin-3-yl)propan-2-one is CN1CCCN(CC(=O)Cc2cc3cc(-c4cccnc4)ccc3nn2)CC1.
What is the InChIKey of 1-(4-methyl-1,4-diazepan-1-yl)-3-(6-pyridin-3-ylcinnolin-3-yl)propan-2-one?
The InChIKey is CQAWDYXOTOUQMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O/c1-26-8-3-9-27(11-10-26)16-21(28)14-20-13-19-12-17(5-6-22(19)25-24-20)18-4-2-7-23-15-18/h2,4-7,12-13,15H,3,8-11,14,16H2,1H3.
What are the key properties of 1-(4-methyl-1,4-diazepan-1-yl)-3-(6-pyridin-3-ylcinnolin-3-yl)propan-2-one?
1-(4-methyl-1,4-diazepan-1-yl)-3-(6-pyridin-3-ylcinnolin-3-yl)propan-2-one has a molecular weight of 375.48 g/mol, XLogP of 2.44, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-1,4-diazepan-1-yl)-3-(6-pyridin-3-ylcinnolin-3-yl)propan-2-one is sourced from PubChem (CID 147268962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).