2-(3-aminopyrazolo[5,4-b]pyridin-1-yl)-1-[1-(4-chloro-3-methoxyphenyl)piperidin-4-yl]ethanol

C20H24ClN5O2 — CID 68556936

IUPAC2-(3-aminopyrazolo[5,4-b]pyridin-1-yl)-1-[1-(4-chloro-3-methoxyphenyl)piperidin-4-yl]ethanol
SMILESCOc1cc(N2CCC(C(O)Cn3nc(N)c4cccnc43)CC2)ccc1Cl
InChIInChI=1S/C20H24ClN5O2/c1-28-18-11-14(4-5-16(18)21)25-9-6-13(7-10-25)17(27)12-26-20-15(19(22)24-26)3-2-8-23-20/h2-5,8,11,13,17,27H,6-7,9-10,12H2,1H3,(H2,22,24)
InChIKeyLKWBMIXPFYNIJQ-UHFFFAOYSA-N
MW401.90 g/mol
LogP2.95
Rot. Bonds5

About 2-(3-aminopyrazolo[5,4-b]pyridin-1-yl)-1-[1-(4-chloro-3-methoxyphenyl)piperidin-4-yl]ethanol

2-(3-aminopyrazolo[5,4-b]pyridin-1-yl)-1-[1-(4-chloro-3-methoxyphenyl)piperidin-4-yl]ethanol (PubChem CID 68556936) has the molecular formula C20H24ClN5O2 and a molecular weight of 401.90 g/mol. Its IUPAC name is 2-(3-aminopyrazolo[5,4-b]pyridin-1-yl)-1-[1-(4-chloro-3-methoxyphenyl)piperidin-4-yl]ethanol.

Molecular Properties

Compound Name2-(3-aminopyrazolo[5,4-b]pyridin-1-yl)-1-[1-(4-chloro-3-methoxyphenyl)piperidin-4-yl]ethanol
PubChem CID68556936
Molecular FormulaC20H24ClN5O2
Molecular Weight401.90 g/mol
Exact Mass401.16
IUPAC Name2-(3-aminopyrazolo[5,4-b]pyridin-1-yl)-1-[1-(4-chloro-3-methoxyphenyl)piperidin-4-yl]ethanol
SMILESCOc1cc(N2CCC(C(O)Cn3nc(N)c4cccnc43)CC2)ccc1Cl
InChIInChI=1S/C20H24ClN5O2/c1-28-18-11-14(4-5-16(18)21)25-9-6-13(7-10-25)17(27)12-26-20-15(19(22)24-26)3-2-8-23-20/h2-5,8,11,13,17,27H,6-7,9-10,12H2,1H3,(H2,22,24)
InChIKeyLKWBMIXPFYNIJQ-UHFFFAOYSA-N
XLogP2.95
TPSA89.43 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.90
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopyrazolo[5,4-b]pyridin-1-yl)-1-[1-(4-chloro-3-methoxyphenyl)piperidin-4-yl]ethanol?
The IUPAC name of 2-(3-aminopyrazolo[5,4-b]pyridin-1-yl)-1-[1-(4-chloro-3-methoxyphenyl)piperidin-4-yl]ethanol (CID 68556936) is 2-(3-aminopyrazolo[5,4-b]pyridin-1-yl)-1-[1-(4-chloro-3-methoxyphenyl)piperidin-4-yl]ethanol.
What is the SMILES notation for 2-(3-aminopyrazolo[5,4-b]pyridin-1-yl)-1-[1-(4-chloro-3-methoxyphenyl)piperidin-4-yl]ethanol?
The canonical SMILES for 2-(3-aminopyrazolo[5,4-b]pyridin-1-yl)-1-[1-(4-chloro-3-methoxyphenyl)piperidin-4-yl]ethanol is COc1cc(N2CCC(C(O)Cn3nc(N)c4cccnc43)CC2)ccc1Cl.
What is the InChIKey of 2-(3-aminopyrazolo[5,4-b]pyridin-1-yl)-1-[1-(4-chloro-3-methoxyphenyl)piperidin-4-yl]ethanol?
The InChIKey is LKWBMIXPFYNIJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN5O2/c1-28-18-11-14(4-5-16(18)21)25-9-6-13(7-10-25)17(27)12-26-20-15(19(22)24-26)3-2-8-23-20/h2-5,8,11,13,17,27H,6-7,9-10,12H2,1H3,(H2,22,24).
What are the key properties of 2-(3-aminopyrazolo[5,4-b]pyridin-1-yl)-1-[1-(4-chloro-3-methoxyphenyl)piperidin-4-yl]ethanol?
2-(3-aminopyrazolo[5,4-b]pyridin-1-yl)-1-[1-(4-chloro-3-methoxyphenyl)piperidin-4-yl]ethanol has a molecular weight of 401.90 g/mol, XLogP of 2.95, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopyrazolo[5,4-b]pyridin-1-yl)-1-[1-(4-chloro-3-methoxyphenyl)piperidin-4-yl]ethanol is sourced from PubChem (CID 68556936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).