2-[3-chloro-6-(5-methyl-1-piperidin-4-yltriazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxy-2-(5-fluoro-2-pyridinyl)ethanol

C22H23ClFN7O2 — CID 164920541

IUPAC2-[3-chloro-6-(5-methyl-1-piperidin-4-yltriazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxy-2-(5-fluoro-2-pyridinyl)ethanol
SMILESCc1c(-c2cc(OC(CO)c3ccc(F)cn3)c3c(Cl)cnn3c2)nnn1C1CCNCC1
InChIInChI=1S/C22H23ClFN7O2/c1-13-21(28-29-31(13)16-4-6-25-7-5-16)14-8-19(22-17(23)10-27-30(22)11-14)33-20(12-32)18-3-2-15(24)9-26-18/h2-3,8-11,16,20,25,32H,4-7,12H2,1H3
InChIKeyQHDTXZOZMHONNJ-UHFFFAOYSA-N
MW471.92 g/mol
LogP3.13
Rot. Bonds6

About 2-[3-chloro-6-(5-methyl-1-piperidin-4-yltriazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxy-2-(5-fluoro-2-pyridinyl)ethanol

2-[3-chloro-6-(5-methyl-1-piperidin-4-yltriazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxy-2-(5-fluoro-2-pyridinyl)ethanol (PubChem CID 164920541) has the molecular formula C22H23ClFN7O2 and a molecular weight of 471.92 g/mol. Its IUPAC name is 2-[3-chloro-6-(5-methyl-1-piperidin-4-yltriazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxy-2-(5-fluoro-2-pyridinyl)ethanol.

Molecular Properties

Compound Name2-[3-chloro-6-(5-methyl-1-piperidin-4-yltriazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxy-2-(5-fluoro-2-pyridinyl)ethanol
PubChem CID164920541
Molecular FormulaC22H23ClFN7O2
Molecular Weight471.92 g/mol
Exact Mass471.16
IUPAC Name2-[3-chloro-6-(5-methyl-1-piperidin-4-yltriazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxy-2-(5-fluoro-2-pyridinyl)ethanol
SMILESCc1c(-c2cc(OC(CO)c3ccc(F)cn3)c3c(Cl)cnn3c2)nnn1C1CCNCC1
InChIInChI=1S/C22H23ClFN7O2/c1-13-21(28-29-31(13)16-4-6-25-7-5-16)14-8-19(22-17(23)10-27-30(22)11-14)33-20(12-32)18-3-2-15(24)9-26-18/h2-3,8-11,16,20,25,32H,4-7,12H2,1H3
InChIKeyQHDTXZOZMHONNJ-UHFFFAOYSA-N
XLogP3.13
TPSA102.39 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.92
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-6-(5-methyl-1-piperidin-4-yltriazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxy-2-(5-fluoro-2-pyridinyl)ethanol?
The IUPAC name of 2-[3-chloro-6-(5-methyl-1-piperidin-4-yltriazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxy-2-(5-fluoro-2-pyridinyl)ethanol (CID 164920541) is 2-[3-chloro-6-(5-methyl-1-piperidin-4-yltriazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxy-2-(5-fluoro-2-pyridinyl)ethanol.
What is the SMILES notation for 2-[3-chloro-6-(5-methyl-1-piperidin-4-yltriazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxy-2-(5-fluoro-2-pyridinyl)ethanol?
The canonical SMILES for 2-[3-chloro-6-(5-methyl-1-piperidin-4-yltriazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxy-2-(5-fluoro-2-pyridinyl)ethanol is Cc1c(-c2cc(OC(CO)c3ccc(F)cn3)c3c(Cl)cnn3c2)nnn1C1CCNCC1.
What is the InChIKey of 2-[3-chloro-6-(5-methyl-1-piperidin-4-yltriazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxy-2-(5-fluoro-2-pyridinyl)ethanol?
The InChIKey is QHDTXZOZMHONNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClFN7O2/c1-13-21(28-29-31(13)16-4-6-25-7-5-16)14-8-19(22-17(23)10-27-30(22)11-14)33-20(12-32)18-3-2-15(24)9-26-18/h2-3,8-11,16,20,25,32H,4-7,12H2,1H3.
What are the key properties of 2-[3-chloro-6-(5-methyl-1-piperidin-4-yltriazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxy-2-(5-fluoro-2-pyridinyl)ethanol?
2-[3-chloro-6-(5-methyl-1-piperidin-4-yltriazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxy-2-(5-fluoro-2-pyridinyl)ethanol has a molecular weight of 471.92 g/mol, XLogP of 3.13, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-6-(5-methyl-1-piperidin-4-yltriazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxy-2-(5-fluoro-2-pyridinyl)ethanol is sourced from PubChem (CID 164920541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).