3-morpholin-4-yl-N-(6-pyrazin-2-ylcinnolin-3-yl)cyclobutane-1-carboxamide

C21H22N6O2 — CID 138590974

IUPAC3-morpholin-4-yl-N-(6-pyrazin-2-ylcinnolin-3-yl)cyclobutane-1-carboxamide
SMILESO=C(Nc1cc2cc(-c3cnccn3)ccc2nn1)C1CC(N2CCOCC2)C1
InChIInChI=1S/C21H22N6O2/c28-21(16-10-17(11-16)27-5-7-29-8-6-27)24-20-12-15-9-14(1-2-18(15)25-26-20)19-13-22-3-4-23-19/h1-4,9,12-13,16-17H,5-8,10-11H2,(H,24,26,28)
InChIKeyACVDGYNHJIJZPK-UHFFFAOYSA-N
MW390.45 g/mol
LogP2.14
Rot. Bonds4

About 3-morpholin-4-yl-N-(6-pyrazin-2-ylcinnolin-3-yl)cyclobutane-1-carboxamide

3-morpholin-4-yl-N-(6-pyrazin-2-ylcinnolin-3-yl)cyclobutane-1-carboxamide (PubChem CID 138590974) has the molecular formula C21H22N6O2 and a molecular weight of 390.45 g/mol. Its IUPAC name is 3-morpholin-4-yl-N-(6-pyrazin-2-ylcinnolin-3-yl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name3-morpholin-4-yl-N-(6-pyrazin-2-ylcinnolin-3-yl)cyclobutane-1-carboxamide
PubChem CID138590974
Molecular FormulaC21H22N6O2
Molecular Weight390.45 g/mol
Exact Mass390.18
IUPAC Name3-morpholin-4-yl-N-(6-pyrazin-2-ylcinnolin-3-yl)cyclobutane-1-carboxamide
SMILESO=C(Nc1cc2cc(-c3cnccn3)ccc2nn1)C1CC(N2CCOCC2)C1
InChIInChI=1S/C21H22N6O2/c28-21(16-10-17(11-16)27-5-7-29-8-6-27)24-20-12-15-9-14(1-2-18(15)25-26-20)19-13-22-3-4-23-19/h1-4,9,12-13,16-17H,5-8,10-11H2,(H,24,26,28)
InChIKeyACVDGYNHJIJZPK-UHFFFAOYSA-N
XLogP2.14
TPSA93.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.45
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[6-(5-methyl-1,3,4-thiadiazol-2-yl)cinnolin-3-yl]-4-morpholin-4-ylcyclohexane-1-carboxamide
CID 138586932
1-(4-morpholin-4-ylpiperidin-1-yl)-2-(6-pyrazin-2-ylisoquinolin-3-yl)ethanone
CID 158885542
1-(3-morpholin-4-ylcyclobutyl)-2-(6-pyrazin-2-yl-2,7-naphthyridin-3-yl)ethanone
CID 159161643
1-(2-fluoroethyl)-N-(6-pyrazin-2-ylisoquinolin-3-yl)piperidine-4-carboxamide
CID 138586292
N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)-1,7-naphthyridin-6-yl]-4-morpholin-4-ylcyclohexane-1-carboxamide
CID 138587970
N-[7-(2-methyl-1,3-oxazol-5-yl)quinazolin-2-yl]-3-morpholin-4-ylcyclobutane-1-carboxamide
CID 138590666
(1R,4R)-5-methyl-N-(6-pyrazin-2-ylisoquinolin-3-yl)-2,5-diazabicyclo[2.2.1]heptane-2-carboxamide
CID 138606111
1-methyl-N-[6-(1,2-thiazol-4-yl)cinnolin-3-yl]piperidine-4-carboxamide
CID 138588116
4-(morpholin-4-ylmethyl)-N-(6-pyridazin-3-ylisoquinolin-3-yl)cyclohexane-1-carboxamide
CID 138606041
4-[[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]carbamoyl]cyclohexane-1-carboxylic acid
CID 138591121
N-(6-pyridin-3-ylcinnolin-3-yl)acetamide
CID 154592116
4-amino-N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]cyclohexane-1-carboxamide
CID 138590409

Frequently Asked Questions

What is the IUPAC name of 3-morpholin-4-yl-N-(6-pyrazin-2-ylcinnolin-3-yl)cyclobutane-1-carboxamide?
The IUPAC name of 3-morpholin-4-yl-N-(6-pyrazin-2-ylcinnolin-3-yl)cyclobutane-1-carboxamide (CID 138590974) is 3-morpholin-4-yl-N-(6-pyrazin-2-ylcinnolin-3-yl)cyclobutane-1-carboxamide.
What is the SMILES notation for 3-morpholin-4-yl-N-(6-pyrazin-2-ylcinnolin-3-yl)cyclobutane-1-carboxamide?
The canonical SMILES for 3-morpholin-4-yl-N-(6-pyrazin-2-ylcinnolin-3-yl)cyclobutane-1-carboxamide is O=C(Nc1cc2cc(-c3cnccn3)ccc2nn1)C1CC(N2CCOCC2)C1.
What is the InChIKey of 3-morpholin-4-yl-N-(6-pyrazin-2-ylcinnolin-3-yl)cyclobutane-1-carboxamide?
The InChIKey is ACVDGYNHJIJZPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O2/c28-21(16-10-17(11-16)27-5-7-29-8-6-27)24-20-12-15-9-14(1-2-18(15)25-26-20)19-13-22-3-4-23-19/h1-4,9,12-13,16-17H,5-8,10-11H2,(H,24,26,28).
What are the key properties of 3-morpholin-4-yl-N-(6-pyrazin-2-ylcinnolin-3-yl)cyclobutane-1-carboxamide?
3-morpholin-4-yl-N-(6-pyrazin-2-ylcinnolin-3-yl)cyclobutane-1-carboxamide has a molecular weight of 390.45 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-morpholin-4-yl-N-(6-pyrazin-2-ylcinnolin-3-yl)cyclobutane-1-carboxamide is sourced from PubChem (CID 138590974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).