1-(methylamino)-3-[3-(3-methyl-4-morpholin-4-yl-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenoxy]propan-2-ol

C24H33N5O3 — CID 85471772

IUPAC1-(methylamino)-3-[3-(3-methyl-4-morpholin-4-yl-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenoxy]propan-2-ol
SMILESCNCC(O)COc1cccc(-c2cc(N3CCOCC3)c3c(C)nn(C(C)C)c3n2)c1
InChIInChI=1S/C24H33N5O3/c1-16(2)29-24-23(17(3)27-29)22(28-8-10-31-11-9-28)13-21(26-24)18-6-5-7-20(12-18)32-15-19(30)14-25-4/h5-7,12-13,16,19,25,30H,8-11,14-15H2,1-4H3
InChIKeyWGQYPGXHHZKCAC-UHFFFAOYSA-N
MW439.56 g/mol
LogP2.78
Rot. Bonds8

About 1-(methylamino)-3-[3-(3-methyl-4-morpholin-4-yl-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenoxy]propan-2-ol

1-(methylamino)-3-[3-(3-methyl-4-morpholin-4-yl-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenoxy]propan-2-ol (PubChem CID 85471772) has the molecular formula C24H33N5O3 and a molecular weight of 439.56 g/mol. Its IUPAC name is 1-(methylamino)-3-[3-(3-methyl-4-morpholin-4-yl-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenoxy]propan-2-ol.

Molecular Properties

Compound Name1-(methylamino)-3-[3-(3-methyl-4-morpholin-4-yl-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenoxy]propan-2-ol
PubChem CID85471772
Molecular FormulaC24H33N5O3
Molecular Weight439.56 g/mol
Exact Mass439.26
IUPAC Name1-(methylamino)-3-[3-(3-methyl-4-morpholin-4-yl-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenoxy]propan-2-ol
SMILESCNCC(O)COc1cccc(-c2cc(N3CCOCC3)c3c(C)nn(C(C)C)c3n2)c1
InChIInChI=1S/C24H33N5O3/c1-16(2)29-24-23(17(3)27-29)22(28-8-10-31-11-9-28)13-21(26-24)18-6-5-7-20(12-18)32-15-19(30)14-25-4/h5-7,12-13,16,19,25,30H,8-11,14-15H2,1-4H3
InChIKeyWGQYPGXHHZKCAC-UHFFFAOYSA-N
XLogP2.78
TPSA84.67 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.56
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-(methylamino)-3-[3-(3-methyl-4-morpholin-4-yl-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenoxy]propan-2-ol?
The IUPAC name of 1-(methylamino)-3-[3-(3-methyl-4-morpholin-4-yl-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenoxy]propan-2-ol (CID 85471772) is 1-(methylamino)-3-[3-(3-methyl-4-morpholin-4-yl-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenoxy]propan-2-ol.
What is the SMILES notation for 1-(methylamino)-3-[3-(3-methyl-4-morpholin-4-yl-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenoxy]propan-2-ol?
The canonical SMILES for 1-(methylamino)-3-[3-(3-methyl-4-morpholin-4-yl-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenoxy]propan-2-ol is CNCC(O)COc1cccc(-c2cc(N3CCOCC3)c3c(C)nn(C(C)C)c3n2)c1.
What is the InChIKey of 1-(methylamino)-3-[3-(3-methyl-4-morpholin-4-yl-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenoxy]propan-2-ol?
The InChIKey is WGQYPGXHHZKCAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N5O3/c1-16(2)29-24-23(17(3)27-29)22(28-8-10-31-11-9-28)13-21(26-24)18-6-5-7-20(12-18)32-15-19(30)14-25-4/h5-7,12-13,16,19,25,30H,8-11,14-15H2,1-4H3.
What are the key properties of 1-(methylamino)-3-[3-(3-methyl-4-morpholin-4-yl-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenoxy]propan-2-ol?
1-(methylamino)-3-[3-(3-methyl-4-morpholin-4-yl-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenoxy]propan-2-ol has a molecular weight of 439.56 g/mol, XLogP of 2.78, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methylamino)-3-[3-(3-methyl-4-morpholin-4-yl-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenoxy]propan-2-ol is sourced from PubChem (CID 85471772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).