4-[2-[4-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyridin-5-yl]pyrazol-1-yl]ethyl]morpholine

C24H24N8O — CID 58514855

IUPAC4-[2-[4-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyridin-5-yl]pyrazol-1-yl]ethyl]morpholine
SMILESc1cnc2ccc(Cn3nnc4ccc(-c5cnn(CCN6CCOCC6)c5)nc43)cc2c1
InChIInChI=1S/C24H24N8O/c1-2-19-14-18(3-4-21(19)25-7-1)16-32-24-23(28-29-32)6-5-22(27-24)20-15-26-31(17-20)9-8-30-10-12-33-13-11-30/h1-7,14-15,17H,8-13,16H2
InChIKeyHMMRKOYBYLIRDO-UHFFFAOYSA-N
MW440.51 g/mol
LogP2.62
Rot. Bonds6

About 4-[2-[4-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyridin-5-yl]pyrazol-1-yl]ethyl]morpholine

4-[2-[4-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyridin-5-yl]pyrazol-1-yl]ethyl]morpholine (PubChem CID 58514855) has the molecular formula C24H24N8O and a molecular weight of 440.51 g/mol. Its IUPAC name is 4-[2-[4-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyridin-5-yl]pyrazol-1-yl]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[4-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyridin-5-yl]pyrazol-1-yl]ethyl]morpholine
PubChem CID58514855
Molecular FormulaC24H24N8O
Molecular Weight440.51 g/mol
Exact Mass440.21
IUPAC Name4-[2-[4-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyridin-5-yl]pyrazol-1-yl]ethyl]morpholine
SMILESc1cnc2ccc(Cn3nnc4ccc(-c5cnn(CCN6CCOCC6)c5)nc43)cc2c1
InChIInChI=1S/C24H24N8O/c1-2-19-14-18(3-4-21(19)25-7-1)16-32-24-23(28-29-32)6-5-22(27-24)20-15-26-31(17-20)9-8-30-10-12-33-13-11-30/h1-7,14-15,17H,8-13,16H2
InChIKeyHMMRKOYBYLIRDO-UHFFFAOYSA-N
XLogP2.62
TPSA86.78 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.51
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyridin-5-yl]pyrazol-1-yl]ethyl]morpholine?
The IUPAC name of 4-[2-[4-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyridin-5-yl]pyrazol-1-yl]ethyl]morpholine (CID 58514855) is 4-[2-[4-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyridin-5-yl]pyrazol-1-yl]ethyl]morpholine.
What is the SMILES notation for 4-[2-[4-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyridin-5-yl]pyrazol-1-yl]ethyl]morpholine?
The canonical SMILES for 4-[2-[4-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyridin-5-yl]pyrazol-1-yl]ethyl]morpholine is c1cnc2ccc(Cn3nnc4ccc(-c5cnn(CCN6CCOCC6)c5)nc43)cc2c1.
What is the InChIKey of 4-[2-[4-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyridin-5-yl]pyrazol-1-yl]ethyl]morpholine?
The InChIKey is HMMRKOYBYLIRDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N8O/c1-2-19-14-18(3-4-21(19)25-7-1)16-32-24-23(28-29-32)6-5-22(27-24)20-15-26-31(17-20)9-8-30-10-12-33-13-11-30/h1-7,14-15,17H,8-13,16H2.
What are the key properties of 4-[2-[4-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyridin-5-yl]pyrazol-1-yl]ethyl]morpholine?
4-[2-[4-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyridin-5-yl]pyrazol-1-yl]ethyl]morpholine has a molecular weight of 440.51 g/mol, XLogP of 2.62, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyridin-5-yl]pyrazol-1-yl]ethyl]morpholine is sourced from PubChem (CID 58514855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).