morpholin-4-yl-[2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]quinolin-4-yl]methanone

C25H26N6O2 — CID 55447395

IUPACmorpholin-4-yl-[2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]quinolin-4-yl]methanone
SMILESO=C(c1cc(N2CCC(c3nnc4ccccn34)CC2)nc2ccccc12)N1CCOCC1
InChIInChI=1S/C25H26N6O2/c32-25(30-13-15-33-16-14-30)20-17-23(26-21-6-2-1-5-19(20)21)29-11-8-18(9-12-29)24-28-27-22-7-3-4-10-31(22)24/h1-7,10,17-18H,8-9,11-16H2
InChIKeyBERDKIOZANCQEM-UHFFFAOYSA-N
MW442.52 g/mol
LogP3.13
Rot. Bonds3

About morpholin-4-yl-[2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]quinolin-4-yl]methanone

morpholin-4-yl-[2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]quinolin-4-yl]methanone (PubChem CID 55447395) has the molecular formula C25H26N6O2 and a molecular weight of 442.52 g/mol. Its IUPAC name is morpholin-4-yl-[2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]quinolin-4-yl]methanone.

Molecular Properties

Compound Namemorpholin-4-yl-[2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]quinolin-4-yl]methanone
PubChem CID55447395
Molecular FormulaC25H26N6O2
Molecular Weight442.52 g/mol
Exact Mass442.21
IUPAC Namemorpholin-4-yl-[2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]quinolin-4-yl]methanone
SMILESO=C(c1cc(N2CCC(c3nnc4ccccn34)CC2)nc2ccccc12)N1CCOCC1
InChIInChI=1S/C25H26N6O2/c32-25(30-13-15-33-16-14-30)20-17-23(26-21-6-2-1-5-19(20)21)29-11-8-18(9-12-29)24-28-27-22-7-3-4-10-31(22)24/h1-7,10,17-18H,8-9,11-16H2
InChIKeyBERDKIOZANCQEM-UHFFFAOYSA-N
XLogP3.13
TPSA75.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.52
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-[2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]quinolin-4-yl]methanone?
The IUPAC name of morpholin-4-yl-[2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]quinolin-4-yl]methanone (CID 55447395) is morpholin-4-yl-[2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]quinolin-4-yl]methanone.
What is the SMILES notation for morpholin-4-yl-[2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]quinolin-4-yl]methanone?
The canonical SMILES for morpholin-4-yl-[2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]quinolin-4-yl]methanone is O=C(c1cc(N2CCC(c3nnc4ccccn34)CC2)nc2ccccc12)N1CCOCC1.
What is the InChIKey of morpholin-4-yl-[2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]quinolin-4-yl]methanone?
The InChIKey is BERDKIOZANCQEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O2/c32-25(30-13-15-33-16-14-30)20-17-23(26-21-6-2-1-5-19(20)21)29-11-8-18(9-12-29)24-28-27-22-7-3-4-10-31(22)24/h1-7,10,17-18H,8-9,11-16H2.
What are the key properties of morpholin-4-yl-[2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]quinolin-4-yl]methanone?
morpholin-4-yl-[2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]quinolin-4-yl]methanone has a molecular weight of 442.52 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-[2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]quinolin-4-yl]methanone is sourced from PubChem (CID 55447395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).