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

C22H24ClN7O2 — CID 171074909

IUPAC(2S)-2-[3-chloro-6-(5-methyl-1-piperidin-4-yltriazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxy-2-pyridin-2-ylethanol
SMILESCc1c(-c2cc(O[C@H](CO)c3ccccn3)c3c(Cl)cnn3c2)nnn1C1CCNCC1
InChIInChI=1S/C22H24ClN7O2/c1-14-21(27-28-30(14)16-5-8-24-9-6-16)15-10-19(22-17(23)11-26-29(22)12-15)32-20(13-31)18-4-2-3-7-25-18/h2-4,7,10-12,16,20,24,31H,5-6,8-9,13H2,1H3/t20-/m1/s1
InChIKeyMJBCPEDTFXDFPA-HXUWFJFHSA-N
MW453.93 g/mol
LogP2.99
Rot. Bonds6

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

(2S)-2-[3-chloro-6-(5-methyl-1-piperidin-4-yltriazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxy-2-pyridin-2-ylethanol (PubChem CID 171074909) has the molecular formula C22H24ClN7O2 and a molecular weight of 453.93 g/mol. Its IUPAC name is (2S)-2-[3-chloro-6-(5-methyl-1-piperidin-4-yltriazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxy-2-pyridin-2-ylethanol.

Molecular Properties

Compound Name(2S)-2-[3-chloro-6-(5-methyl-1-piperidin-4-yltriazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxy-2-pyridin-2-ylethanol
PubChem CID171074909
Molecular FormulaC22H24ClN7O2
Molecular Weight453.93 g/mol
Exact Mass453.17
IUPAC Name(2S)-2-[3-chloro-6-(5-methyl-1-piperidin-4-yltriazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxy-2-pyridin-2-ylethanol
SMILESCc1c(-c2cc(O[C@H](CO)c3ccccn3)c3c(Cl)cnn3c2)nnn1C1CCNCC1
InChIInChI=1S/C22H24ClN7O2/c1-14-21(27-28-30(14)16-5-8-24-9-6-16)15-10-19(22-17(23)11-26-29(22)12-15)32-20(13-31)18-4-2-3-7-25-18/h2-4,7,10-12,16,20,24,31H,5-6,8-9,13H2,1H3/t20-/m1/s1
InChIKeyMJBCPEDTFXDFPA-HXUWFJFHSA-N
XLogP2.99
TPSA102.39 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.93
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[3-chloro-6-(5-methyl-1-piperidin-4-yltriazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxy-2-pyridin-2-ylethanol?
The IUPAC name of (2S)-2-[3-chloro-6-(5-methyl-1-piperidin-4-yltriazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxy-2-pyridin-2-ylethanol (CID 171074909) is (2S)-2-[3-chloro-6-(5-methyl-1-piperidin-4-yltriazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxy-2-pyridin-2-ylethanol.
What is the SMILES notation for (2S)-2-[3-chloro-6-(5-methyl-1-piperidin-4-yltriazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxy-2-pyridin-2-ylethanol?
The canonical SMILES for (2S)-2-[3-chloro-6-(5-methyl-1-piperidin-4-yltriazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxy-2-pyridin-2-ylethanol is Cc1c(-c2cc(O[C@H](CO)c3ccccn3)c3c(Cl)cnn3c2)nnn1C1CCNCC1.
What is the InChIKey of (2S)-2-[3-chloro-6-(5-methyl-1-piperidin-4-yltriazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxy-2-pyridin-2-ylethanol?
The InChIKey is MJBCPEDTFXDFPA-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H24ClN7O2/c1-14-21(27-28-30(14)16-5-8-24-9-6-16)15-10-19(22-17(23)11-26-29(22)12-15)32-20(13-31)18-4-2-3-7-25-18/h2-4,7,10-12,16,20,24,31H,5-6,8-9,13H2,1H3/t20-/m1/s1.
What are the key properties of (2S)-2-[3-chloro-6-(5-methyl-1-piperidin-4-yltriazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxy-2-pyridin-2-ylethanol?
(2S)-2-[3-chloro-6-(5-methyl-1-piperidin-4-yltriazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxy-2-pyridin-2-ylethanol has a molecular weight of 453.93 g/mol, XLogP of 2.99, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[3-chloro-6-(5-methyl-1-piperidin-4-yltriazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxy-2-pyridin-2-ylethanol is sourced from PubChem (CID 171074909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).