6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyridazine-3-carbonitrile

C23H25N7O2 — CID 86280904

IUPAC6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyridazine-3-carbonitrile
SMILESN#Cc1ccc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)nn1
InChIInChI=1S/C23H25N7O2/c24-15-17-3-6-22(29-28-17)27-16-1-4-19(5-2-16)32-21-14-18(30-9-11-31-12-10-30)13-20-23(21)26-8-7-25-20/h3,6-8,13-14,16,19H,1-2,4-5,9-12H2,(H,27,29)
InChIKeyIIILXDQLJPRVKI-UHFFFAOYSA-N
MW431.50 g/mol
LogP2.93
Rot. Bonds5

About 6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyridazine-3-carbonitrile

6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyridazine-3-carbonitrile (PubChem CID 86280904) has the molecular formula C23H25N7O2 and a molecular weight of 431.50 g/mol. Its IUPAC name is 6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyridazine-3-carbonitrile.

Molecular Properties

Compound Name6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyridazine-3-carbonitrile
PubChem CID86280904
Molecular FormulaC23H25N7O2
Molecular Weight431.50 g/mol
Exact Mass431.21
IUPAC Name6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyridazine-3-carbonitrile
SMILESN#Cc1ccc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)nn1
InChIInChI=1S/C23H25N7O2/c24-15-17-3-6-22(29-28-17)27-16-1-4-19(5-2-16)32-21-14-18(30-9-11-31-12-10-30)13-20-23(21)26-8-7-25-20/h3,6-8,13-14,16,19H,1-2,4-5,9-12H2,(H,27,29)
InChIKeyIIILXDQLJPRVKI-UHFFFAOYSA-N
XLogP2.93
TPSA109.08 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.50
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyridazine-3-carbonitrile with MolForge

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Related Compounds

6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidine-4-carbonitrile
CID 90454060
2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidine-5-carbonitrile
CID 90443904
2-N,2-N-dimethyl-4-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidine-2,4-diamine
CID 121335685
5-methoxy-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrazin-2-amine
CID 90454133
3-methoxy-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-2-amine
CID 121335616
2-[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]-4-pyridinyl]propan-2-ol
CID 121335604
4-(methoxymethyl)-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-2-amine
CID 121335607
3-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-2-amine
CID 121335611
6-[2-(dimethylamino)ethoxy]-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-4-amine
CID 121335601
2-(methylamino)-4-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]-1H-pyrimidin-6-one
CID 137058933
2-methylsulfanyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-1,3-thiazol-4-amine
CID 121335918
N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-6-(trifluoromethyl)pyridin-3-amine
CID 121335931

Frequently Asked Questions

What is the IUPAC name of 6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyridazine-3-carbonitrile?
The IUPAC name of 6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyridazine-3-carbonitrile (CID 86280904) is 6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyridazine-3-carbonitrile.
What is the SMILES notation for 6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyridazine-3-carbonitrile?
The canonical SMILES for 6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyridazine-3-carbonitrile is N#Cc1ccc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)nn1.
What is the InChIKey of 6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyridazine-3-carbonitrile?
The InChIKey is IIILXDQLJPRVKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N7O2/c24-15-17-3-6-22(29-28-17)27-16-1-4-19(5-2-16)32-21-14-18(30-9-11-31-12-10-30)13-20-23(21)26-8-7-25-20/h3,6-8,13-14,16,19H,1-2,4-5,9-12H2,(H,27,29).
What are the key properties of 6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyridazine-3-carbonitrile?
6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyridazine-3-carbonitrile has a molecular weight of 431.50 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyridazine-3-carbonitrile is sourced from PubChem (CID 86280904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).