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

C26H37N5O4 — CID 85471643

IUPAC1-(methylamino)-3-[3-(4-morpholin-4-yl-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)-5-propan-2-yloxyphenoxy]propan-2-ol
SMILESCNCC(O)COc1cc(OC(C)C)cc(-c2cc(N3CCOCC3)c3cnn(C(C)C)c3n2)c1
InChIInChI=1S/C26H37N5O4/c1-17(2)31-26-23(15-28-31)25(30-6-8-33-9-7-30)13-24(29-26)19-10-21(34-16-20(32)14-27-5)12-22(11-19)35-18(3)4/h10-13,15,17-18,20,27,32H,6-9,14,16H2,1-5H3
InChIKeySRAHHHMXCYTSNH-UHFFFAOYSA-N
MW483.61 g/mol
LogP3.26
Rot. Bonds10

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

1-(methylamino)-3-[3-(4-morpholin-4-yl-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)-5-propan-2-yloxyphenoxy]propan-2-ol (PubChem CID 85471643) has the molecular formula C26H37N5O4 and a molecular weight of 483.61 g/mol. Its IUPAC name is 1-(methylamino)-3-[3-(4-morpholin-4-yl-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)-5-propan-2-yloxyphenoxy]propan-2-ol.

Molecular Properties

Compound Name1-(methylamino)-3-[3-(4-morpholin-4-yl-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)-5-propan-2-yloxyphenoxy]propan-2-ol
PubChem CID85471643
Molecular FormulaC26H37N5O4
Molecular Weight483.61 g/mol
Exact Mass483.28
IUPAC Name1-(methylamino)-3-[3-(4-morpholin-4-yl-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)-5-propan-2-yloxyphenoxy]propan-2-ol
SMILESCNCC(O)COc1cc(OC(C)C)cc(-c2cc(N3CCOCC3)c3cnn(C(C)C)c3n2)c1
InChIInChI=1S/C26H37N5O4/c1-17(2)31-26-23(15-28-31)25(30-6-8-33-9-7-30)13-24(29-26)19-10-21(34-16-20(32)14-27-5)12-22(11-19)35-18(3)4/h10-13,15,17-18,20,27,32H,6-9,14,16H2,1-5H3
InChIKeySRAHHHMXCYTSNH-UHFFFAOYSA-N
XLogP3.26
TPSA93.90 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.61
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 1-(methylamino)-3-[3-(4-morpholin-4-yl-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)-5-propan-2-yloxyphenoxy]propan-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(methylamino)-3-[3-(4-morpholin-4-yl-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)-5-propan-2-yloxyphenoxy]propan-2-ol?
The IUPAC name of 1-(methylamino)-3-[3-(4-morpholin-4-yl-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)-5-propan-2-yloxyphenoxy]propan-2-ol (CID 85471643) is 1-(methylamino)-3-[3-(4-morpholin-4-yl-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)-5-propan-2-yloxyphenoxy]propan-2-ol.
What is the SMILES notation for 1-(methylamino)-3-[3-(4-morpholin-4-yl-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)-5-propan-2-yloxyphenoxy]propan-2-ol?
The canonical SMILES for 1-(methylamino)-3-[3-(4-morpholin-4-yl-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)-5-propan-2-yloxyphenoxy]propan-2-ol is CNCC(O)COc1cc(OC(C)C)cc(-c2cc(N3CCOCC3)c3cnn(C(C)C)c3n2)c1.
What is the InChIKey of 1-(methylamino)-3-[3-(4-morpholin-4-yl-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)-5-propan-2-yloxyphenoxy]propan-2-ol?
The InChIKey is SRAHHHMXCYTSNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37N5O4/c1-17(2)31-26-23(15-28-31)25(30-6-8-33-9-7-30)13-24(29-26)19-10-21(34-16-20(32)14-27-5)12-22(11-19)35-18(3)4/h10-13,15,17-18,20,27,32H,6-9,14,16H2,1-5H3.
What are the key properties of 1-(methylamino)-3-[3-(4-morpholin-4-yl-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)-5-propan-2-yloxyphenoxy]propan-2-ol?
1-(methylamino)-3-[3-(4-morpholin-4-yl-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)-5-propan-2-yloxyphenoxy]propan-2-ol has a molecular weight of 483.61 g/mol, XLogP of 3.26, 10 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methylamino)-3-[3-(4-morpholin-4-yl-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)-5-propan-2-yloxyphenoxy]propan-2-ol is sourced from PubChem (CID 85471643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).