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

C23H25F2N7O2 — CID 164920793

IUPAC2-[3-fluoro-6-[5-methyl-1-(4-methylpiperidin-4-yl)triazol-4-yl]pyrazolo[1,5-a]pyridin-4-yl]oxy-2-(5-fluoro-2-pyridinyl)ethanol
SMILESCc1c(-c2cc(OC(CO)c3ccc(F)cn3)c3c(F)cnn3c2)nnn1C1(C)CCNCC1
InChIInChI=1S/C23H25F2N7O2/c1-14-21(29-30-32(14)23(2)5-7-26-8-6-23)15-9-19(22-17(25)11-28-31(22)12-15)34-20(13-33)18-4-3-16(24)10-27-18/h3-4,9-12,20,26,33H,5-8,13H2,1-2H3
InChIKeyUBCFSMNZQZHFCJ-UHFFFAOYSA-N
MW469.50 g/mol
LogP2.79
Rot. Bonds6

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

2-[3-fluoro-6-[5-methyl-1-(4-methylpiperidin-4-yl)triazol-4-yl]pyrazolo[1,5-a]pyridin-4-yl]oxy-2-(5-fluoro-2-pyridinyl)ethanol (PubChem CID 164920793) has the molecular formula C23H25F2N7O2 and a molecular weight of 469.50 g/mol. Its IUPAC name is 2-[3-fluoro-6-[5-methyl-1-(4-methylpiperidin-4-yl)triazol-4-yl]pyrazolo[1,5-a]pyridin-4-yl]oxy-2-(5-fluoro-2-pyridinyl)ethanol.

Molecular Properties

Compound Name2-[3-fluoro-6-[5-methyl-1-(4-methylpiperidin-4-yl)triazol-4-yl]pyrazolo[1,5-a]pyridin-4-yl]oxy-2-(5-fluoro-2-pyridinyl)ethanol
PubChem CID164920793
Molecular FormulaC23H25F2N7O2
Molecular Weight469.50 g/mol
Exact Mass469.20
IUPAC Name2-[3-fluoro-6-[5-methyl-1-(4-methylpiperidin-4-yl)triazol-4-yl]pyrazolo[1,5-a]pyridin-4-yl]oxy-2-(5-fluoro-2-pyridinyl)ethanol
SMILESCc1c(-c2cc(OC(CO)c3ccc(F)cn3)c3c(F)cnn3c2)nnn1C1(C)CCNCC1
InChIInChI=1S/C23H25F2N7O2/c1-14-21(29-30-32(14)23(2)5-7-26-8-6-23)15-9-19(22-17(25)11-28-31(22)12-15)34-20(13-33)18-4-3-16(24)10-27-18/h3-4,9-12,20,26,33H,5-8,13H2,1-2H3
InChIKeyUBCFSMNZQZHFCJ-UHFFFAOYSA-N
XLogP2.79
TPSA102.39 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.50
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-[3-fluoro-6-[5-methyl-1-(4-methylpiperidin-4-yl)triazol-4-yl]pyrazolo[1,5-a]pyridin-4-yl]oxy-2-(5-fluoro-2-pyridinyl)ethanol?
The IUPAC name of 2-[3-fluoro-6-[5-methyl-1-(4-methylpiperidin-4-yl)triazol-4-yl]pyrazolo[1,5-a]pyridin-4-yl]oxy-2-(5-fluoro-2-pyridinyl)ethanol (CID 164920793) is 2-[3-fluoro-6-[5-methyl-1-(4-methylpiperidin-4-yl)triazol-4-yl]pyrazolo[1,5-a]pyridin-4-yl]oxy-2-(5-fluoro-2-pyridinyl)ethanol.
What is the SMILES notation for 2-[3-fluoro-6-[5-methyl-1-(4-methylpiperidin-4-yl)triazol-4-yl]pyrazolo[1,5-a]pyridin-4-yl]oxy-2-(5-fluoro-2-pyridinyl)ethanol?
The canonical SMILES for 2-[3-fluoro-6-[5-methyl-1-(4-methylpiperidin-4-yl)triazol-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(F)cnn3c2)nnn1C1(C)CCNCC1.
What is the InChIKey of 2-[3-fluoro-6-[5-methyl-1-(4-methylpiperidin-4-yl)triazol-4-yl]pyrazolo[1,5-a]pyridin-4-yl]oxy-2-(5-fluoro-2-pyridinyl)ethanol?
The InChIKey is UBCFSMNZQZHFCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F2N7O2/c1-14-21(29-30-32(14)23(2)5-7-26-8-6-23)15-9-19(22-17(25)11-28-31(22)12-15)34-20(13-33)18-4-3-16(24)10-27-18/h3-4,9-12,20,26,33H,5-8,13H2,1-2H3.
What are the key properties of 2-[3-fluoro-6-[5-methyl-1-(4-methylpiperidin-4-yl)triazol-4-yl]pyrazolo[1,5-a]pyridin-4-yl]oxy-2-(5-fluoro-2-pyridinyl)ethanol?
2-[3-fluoro-6-[5-methyl-1-(4-methylpiperidin-4-yl)triazol-4-yl]pyrazolo[1,5-a]pyridin-4-yl]oxy-2-(5-fluoro-2-pyridinyl)ethanol has a molecular weight of 469.50 g/mol, XLogP of 2.79, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-fluoro-6-[5-methyl-1-(4-methylpiperidin-4-yl)triazol-4-yl]pyrazolo[1,5-a]pyridin-4-yl]oxy-2-(5-fluoro-2-pyridinyl)ethanol is sourced from PubChem (CID 164920793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).