6-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-N-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]cinnolin-4-amine

C23H24F3N5 — CID 171504317

IUPAC6-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-N-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]cinnolin-4-amine
SMILESCc1c(CNc2cnnc3ccc(N4CC5(CN(C)C5)C4)cc23)cccc1C(F)(F)F
InChIInChI=1S/C23H24F3N5/c1-15-16(4-3-5-19(15)23(24,25)26)9-27-21-10-28-29-20-7-6-17(8-18(20)21)31-13-22(14-31)11-30(2)12-22/h3-8,10H,9,11-14H2,1-2H3,(H,27,29)
InChIKeySLVVHSHAWVNELR-UHFFFAOYSA-N
MW427.47 g/mol
LogP4.32
Rot. Bonds4

About 6-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-N-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]cinnolin-4-amine

6-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-N-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]cinnolin-4-amine (PubChem CID 171504317) has the molecular formula C23H24F3N5 and a molecular weight of 427.47 g/mol. Its IUPAC name is 6-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-N-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]cinnolin-4-amine.

Molecular Properties

Compound Name6-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-N-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]cinnolin-4-amine
PubChem CID171504317
Molecular FormulaC23H24F3N5
Molecular Weight427.47 g/mol
Exact Mass427.20
IUPAC Name6-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-N-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]cinnolin-4-amine
SMILESCc1c(CNc2cnnc3ccc(N4CC5(CN(C)C5)C4)cc23)cccc1C(F)(F)F
InChIInChI=1S/C23H24F3N5/c1-15-16(4-3-5-19(15)23(24,25)26)9-27-21-10-28-29-20-7-6-17(8-18(20)21)31-13-22(14-31)11-30(2)12-22/h3-8,10H,9,11-14H2,1-2H3,(H,27,29)
InChIKeySLVVHSHAWVNELR-UHFFFAOYSA-N
XLogP4.32
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.47
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-N-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]cinnolin-4-amine?
The IUPAC name of 6-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-N-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]cinnolin-4-amine (CID 171504317) is 6-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-N-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]cinnolin-4-amine.
What is the SMILES notation for 6-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-N-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]cinnolin-4-amine?
The canonical SMILES for 6-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-N-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]cinnolin-4-amine is Cc1c(CNc2cnnc3ccc(N4CC5(CN(C)C5)C4)cc23)cccc1C(F)(F)F.
What is the InChIKey of 6-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-N-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]cinnolin-4-amine?
The InChIKey is SLVVHSHAWVNELR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F3N5/c1-15-16(4-3-5-19(15)23(24,25)26)9-27-21-10-28-29-20-7-6-17(8-18(20)21)31-13-22(14-31)11-30(2)12-22/h3-8,10H,9,11-14H2,1-2H3,(H,27,29).
What are the key properties of 6-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-N-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]cinnolin-4-amine?
6-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-N-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]cinnolin-4-amine has a molecular weight of 427.47 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-N-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]cinnolin-4-amine is sourced from PubChem (CID 171504317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).