2-[[3-chloro-6-methyl-6-(3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)-7H-pyrazolo[1,5-a]pyridin-4-yl]oxy]-1-(5-fluoro-2-pyridinyl)ethanol

C22H24ClFN6O2 — CID 178131200

IUPAC2-[[3-chloro-6-methyl-6-(3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)-7H-pyrazolo[1,5-a]pyridin-4-yl]oxy]-1-(5-fluoro-2-pyridinyl)ethanol
SMILESCc1c(C2(C)C=C(OCC(O)c3ccc(F)cn3)c3c(Cl)cnn3C2)nn2c1CNCC2
InChIInChI=1S/C22H24ClFN6O2/c1-13-17-10-25-5-6-29(17)28-21(13)22(2)7-19(20-15(23)9-27-30(20)12-22)32-11-18(31)16-4-3-14(24)8-26-16/h3-4,7-9,18,25,31H,5-6,10-12H2,1-2H3
InChIKeyCRXUSQNMGBNUMF-UHFFFAOYSA-N
MW458.93 g/mol
LogP2.74
Rot. Bonds5

About 2-[[3-chloro-6-methyl-6-(3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)-7H-pyrazolo[1,5-a]pyridin-4-yl]oxy]-1-(5-fluoro-2-pyridinyl)ethanol

2-[[3-chloro-6-methyl-6-(3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)-7H-pyrazolo[1,5-a]pyridin-4-yl]oxy]-1-(5-fluoro-2-pyridinyl)ethanol (PubChem CID 178131200) has the molecular formula C22H24ClFN6O2 and a molecular weight of 458.93 g/mol. Its IUPAC name is 2-[[3-chloro-6-methyl-6-(3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)-7H-pyrazolo[1,5-a]pyridin-4-yl]oxy]-1-(5-fluoro-2-pyridinyl)ethanol.

Molecular Properties

Compound Name2-[[3-chloro-6-methyl-6-(3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)-7H-pyrazolo[1,5-a]pyridin-4-yl]oxy]-1-(5-fluoro-2-pyridinyl)ethanol
PubChem CID178131200
Molecular FormulaC22H24ClFN6O2
Molecular Weight458.93 g/mol
Exact Mass458.16
IUPAC Name2-[[3-chloro-6-methyl-6-(3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)-7H-pyrazolo[1,5-a]pyridin-4-yl]oxy]-1-(5-fluoro-2-pyridinyl)ethanol
SMILESCc1c(C2(C)C=C(OCC(O)c3ccc(F)cn3)c3c(Cl)cnn3C2)nn2c1CNCC2
InChIInChI=1S/C22H24ClFN6O2/c1-13-17-10-25-5-6-29(17)28-21(13)22(2)7-19(20-15(23)9-27-30(20)12-22)32-11-18(31)16-4-3-14(24)8-26-16/h3-4,7-9,18,25,31H,5-6,10-12H2,1-2H3
InChIKeyCRXUSQNMGBNUMF-UHFFFAOYSA-N
XLogP2.74
TPSA90.02 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.93
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[[3-chloro-6-methyl-6-(3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)-7H-pyrazolo[1,5-a]pyridin-4-yl]oxy]-1-(5-fluoro-2-pyridinyl)ethanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-chloro-6-methyl-6-(3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)-7H-pyrazolo[1,5-a]pyridin-4-yl]oxy]-1-(5-fluoro-2-pyridinyl)ethanol?
The IUPAC name of 2-[[3-chloro-6-methyl-6-(3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)-7H-pyrazolo[1,5-a]pyridin-4-yl]oxy]-1-(5-fluoro-2-pyridinyl)ethanol (CID 178131200) is 2-[[3-chloro-6-methyl-6-(3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)-7H-pyrazolo[1,5-a]pyridin-4-yl]oxy]-1-(5-fluoro-2-pyridinyl)ethanol.
What is the SMILES notation for 2-[[3-chloro-6-methyl-6-(3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)-7H-pyrazolo[1,5-a]pyridin-4-yl]oxy]-1-(5-fluoro-2-pyridinyl)ethanol?
The canonical SMILES for 2-[[3-chloro-6-methyl-6-(3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)-7H-pyrazolo[1,5-a]pyridin-4-yl]oxy]-1-(5-fluoro-2-pyridinyl)ethanol is Cc1c(C2(C)C=C(OCC(O)c3ccc(F)cn3)c3c(Cl)cnn3C2)nn2c1CNCC2.
What is the InChIKey of 2-[[3-chloro-6-methyl-6-(3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)-7H-pyrazolo[1,5-a]pyridin-4-yl]oxy]-1-(5-fluoro-2-pyridinyl)ethanol?
The InChIKey is CRXUSQNMGBNUMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClFN6O2/c1-13-17-10-25-5-6-29(17)28-21(13)22(2)7-19(20-15(23)9-27-30(20)12-22)32-11-18(31)16-4-3-14(24)8-26-16/h3-4,7-9,18,25,31H,5-6,10-12H2,1-2H3.
What are the key properties of 2-[[3-chloro-6-methyl-6-(3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)-7H-pyrazolo[1,5-a]pyridin-4-yl]oxy]-1-(5-fluoro-2-pyridinyl)ethanol?
2-[[3-chloro-6-methyl-6-(3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)-7H-pyrazolo[1,5-a]pyridin-4-yl]oxy]-1-(5-fluoro-2-pyridinyl)ethanol has a molecular weight of 458.93 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-chloro-6-methyl-6-(3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)-7H-pyrazolo[1,5-a]pyridin-4-yl]oxy]-1-(5-fluoro-2-pyridinyl)ethanol is sourced from PubChem (CID 178131200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).