3-[2-(6-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)quinolin-8-yl]oxy-2,2-dimethylpropan-1-amine

C23H25N5O — CID 46174557

IUPAC3-[2-(6-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)quinolin-8-yl]oxy-2,2-dimethylpropan-1-amine
SMILESCC(C)(CN)COc1cccc2ccc(-c3nnc4ccc(C5CC5)cn34)nc12
InChIInChI=1S/C23H25N5O/c1-23(2,13-24)14-29-19-5-3-4-16-8-10-18(25-21(16)19)22-27-26-20-11-9-17(12-28(20)22)15-6-7-15/h3-5,8-12,15H,6-7,13-14,24H2,1-2H3
InChIKeyDPNYLXBQKCMOTA-UHFFFAOYSA-N
MW387.49 g/mol
LogP4.19
Rot. Bonds6

About 3-[2-(6-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)quinolin-8-yl]oxy-2,2-dimethylpropan-1-amine

3-[2-(6-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)quinolin-8-yl]oxy-2,2-dimethylpropan-1-amine (PubChem CID 46174557) has the molecular formula C23H25N5O and a molecular weight of 387.49 g/mol. Its IUPAC name is 3-[2-(6-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)quinolin-8-yl]oxy-2,2-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-[2-(6-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)quinolin-8-yl]oxy-2,2-dimethylpropan-1-amine
PubChem CID46174557
Molecular FormulaC23H25N5O
Molecular Weight387.49 g/mol
Exact Mass387.21
IUPAC Name3-[2-(6-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)quinolin-8-yl]oxy-2,2-dimethylpropan-1-amine
SMILESCC(C)(CN)COc1cccc2ccc(-c3nnc4ccc(C5CC5)cn34)nc12
InChIInChI=1S/C23H25N5O/c1-23(2,13-24)14-29-19-5-3-4-16-8-10-18(25-21(16)19)22-27-26-20-11-9-17(12-28(20)22)15-6-7-15/h3-5,8-12,15H,6-7,13-14,24H2,1-2H3
InChIKeyDPNYLXBQKCMOTA-UHFFFAOYSA-N
XLogP4.19
TPSA78.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.49
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(6-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)quinolin-8-yl]oxy-2,2-dimethylpropan-1-amine?
The IUPAC name of 3-[2-(6-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)quinolin-8-yl]oxy-2,2-dimethylpropan-1-amine (CID 46174557) is 3-[2-(6-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)quinolin-8-yl]oxy-2,2-dimethylpropan-1-amine.
What is the SMILES notation for 3-[2-(6-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)quinolin-8-yl]oxy-2,2-dimethylpropan-1-amine?
The canonical SMILES for 3-[2-(6-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)quinolin-8-yl]oxy-2,2-dimethylpropan-1-amine is CC(C)(CN)COc1cccc2ccc(-c3nnc4ccc(C5CC5)cn34)nc12.
What is the InChIKey of 3-[2-(6-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)quinolin-8-yl]oxy-2,2-dimethylpropan-1-amine?
The InChIKey is DPNYLXBQKCMOTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O/c1-23(2,13-24)14-29-19-5-3-4-16-8-10-18(25-21(16)19)22-27-26-20-11-9-17(12-28(20)22)15-6-7-15/h3-5,8-12,15H,6-7,13-14,24H2,1-2H3.
What are the key properties of 3-[2-(6-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)quinolin-8-yl]oxy-2,2-dimethylpropan-1-amine?
3-[2-(6-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)quinolin-8-yl]oxy-2,2-dimethylpropan-1-amine has a molecular weight of 387.49 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(6-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)quinolin-8-yl]oxy-2,2-dimethylpropan-1-amine is sourced from PubChem (CID 46174557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).