8-(2-chloro-4-fluorophenyl)-N-[1-(2-methoxy-4-pyridinyl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine

C23H22ClFN6O — CID 58397914

IUPAC8-(2-chloro-4-fluorophenyl)-N-[1-(2-methoxy-4-pyridinyl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCOc1cc(N2CCC(Nc3nc4c(-c5ccc(F)cc5Cl)cccn4n3)CC2)ccn1
InChIInChI=1S/C23H22ClFN6O/c1-32-21-14-17(6-9-26-21)30-11-7-16(8-12-30)27-23-28-22-19(3-2-10-31(22)29-23)18-5-4-15(25)13-20(18)24/h2-6,9-10,13-14,16H,7-8,11-12H2,1H3,(H,27,29)
InChIKeyFBMDEPJFNLQGJY-UHFFFAOYSA-N
MW452.92 g/mol
LogP4.67
Rot. Bonds5

About 8-(2-chloro-4-fluorophenyl)-N-[1-(2-methoxy-4-pyridinyl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine

8-(2-chloro-4-fluorophenyl)-N-[1-(2-methoxy-4-pyridinyl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 58397914) has the molecular formula C23H22ClFN6O and a molecular weight of 452.92 g/mol. Its IUPAC name is 8-(2-chloro-4-fluorophenyl)-N-[1-(2-methoxy-4-pyridinyl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

Compound Name8-(2-chloro-4-fluorophenyl)-N-[1-(2-methoxy-4-pyridinyl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID58397914
Molecular FormulaC23H22ClFN6O
Molecular Weight452.92 g/mol
Exact Mass452.15
IUPAC Name8-(2-chloro-4-fluorophenyl)-N-[1-(2-methoxy-4-pyridinyl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCOc1cc(N2CCC(Nc3nc4c(-c5ccc(F)cc5Cl)cccn4n3)CC2)ccn1
InChIInChI=1S/C23H22ClFN6O/c1-32-21-14-17(6-9-26-21)30-11-7-16(8-12-30)27-23-28-22-19(3-2-10-31(22)29-23)18-5-4-15(25)13-20(18)24/h2-6,9-10,13-14,16H,7-8,11-12H2,1H3,(H,27,29)
InChIKeyFBMDEPJFNLQGJY-UHFFFAOYSA-N
XLogP4.67
TPSA67.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.92
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-(2-chloro-4-fluorophenyl)-N-[1-(2-methoxy-4-pyridinyl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The IUPAC name of 8-(2-chloro-4-fluorophenyl)-N-[1-(2-methoxy-4-pyridinyl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 58397914) is 8-(2-chloro-4-fluorophenyl)-N-[1-(2-methoxy-4-pyridinyl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine.
What is the SMILES notation for 8-(2-chloro-4-fluorophenyl)-N-[1-(2-methoxy-4-pyridinyl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The canonical SMILES for 8-(2-chloro-4-fluorophenyl)-N-[1-(2-methoxy-4-pyridinyl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine is COc1cc(N2CCC(Nc3nc4c(-c5ccc(F)cc5Cl)cccn4n3)CC2)ccn1.
What is the InChIKey of 8-(2-chloro-4-fluorophenyl)-N-[1-(2-methoxy-4-pyridinyl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The InChIKey is FBMDEPJFNLQGJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClFN6O/c1-32-21-14-17(6-9-26-21)30-11-7-16(8-12-30)27-23-28-22-19(3-2-10-31(22)29-23)18-5-4-15(25)13-20(18)24/h2-6,9-10,13-14,16H,7-8,11-12H2,1H3,(H,27,29).
What are the key properties of 8-(2-chloro-4-fluorophenyl)-N-[1-(2-methoxy-4-pyridinyl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
8-(2-chloro-4-fluorophenyl)-N-[1-(2-methoxy-4-pyridinyl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 452.92 g/mol, XLogP of 4.67, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-chloro-4-fluorophenyl)-N-[1-(2-methoxy-4-pyridinyl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 58397914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).