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

C23H31N5O4 — CID 85472032

IUPAC1-amino-3-[3-methoxy-5-(4-morpholin-4-yl-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenoxy]propan-2-ol
SMILESCOc1cc(OCC(O)CN)cc(-c2cc(N3CCOCC3)c3cnn(C(C)C)c3n2)c1
InChIInChI=1S/C23H31N5O4/c1-15(2)28-23-20(13-25-28)22(27-4-6-31-7-5-27)11-21(26-23)16-8-18(30-3)10-19(9-16)32-14-17(29)12-24/h8-11,13,15,17,29H,4-7,12,14,24H2,1-3H3
InChIKeyDRZUGPYOIRNWQJ-UHFFFAOYSA-N
MW441.53 g/mol
LogP2.22
Rot. Bonds8

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

1-amino-3-[3-methoxy-5-(4-morpholin-4-yl-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenoxy]propan-2-ol (PubChem CID 85472032) has the molecular formula C23H31N5O4 and a molecular weight of 441.53 g/mol. Its IUPAC name is 1-amino-3-[3-methoxy-5-(4-morpholin-4-yl-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenoxy]propan-2-ol.

Molecular Properties

Compound Name1-amino-3-[3-methoxy-5-(4-morpholin-4-yl-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenoxy]propan-2-ol
PubChem CID85472032
Molecular FormulaC23H31N5O4
Molecular Weight441.53 g/mol
Exact Mass441.24
IUPAC Name1-amino-3-[3-methoxy-5-(4-morpholin-4-yl-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenoxy]propan-2-ol
SMILESCOc1cc(OCC(O)CN)cc(-c2cc(N3CCOCC3)c3cnn(C(C)C)c3n2)c1
InChIInChI=1S/C23H31N5O4/c1-15(2)28-23-20(13-25-28)22(27-4-6-31-7-5-27)11-21(26-23)16-8-18(30-3)10-19(9-16)32-14-17(29)12-24/h8-11,13,15,17,29H,4-7,12,14,24H2,1-3H3
InChIKeyDRZUGPYOIRNWQJ-UHFFFAOYSA-N
XLogP2.22
TPSA107.89 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.53
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 1-amino-3-[3-methoxy-5-(4-morpholin-4-yl-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenoxy]propan-2-ol?
The IUPAC name of 1-amino-3-[3-methoxy-5-(4-morpholin-4-yl-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenoxy]propan-2-ol (CID 85472032) is 1-amino-3-[3-methoxy-5-(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-amino-3-[3-methoxy-5-(4-morpholin-4-yl-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenoxy]propan-2-ol?
The canonical SMILES for 1-amino-3-[3-methoxy-5-(4-morpholin-4-yl-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenoxy]propan-2-ol is COc1cc(OCC(O)CN)cc(-c2cc(N3CCOCC3)c3cnn(C(C)C)c3n2)c1.
What is the InChIKey of 1-amino-3-[3-methoxy-5-(4-morpholin-4-yl-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenoxy]propan-2-ol?
The InChIKey is DRZUGPYOIRNWQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N5O4/c1-15(2)28-23-20(13-25-28)22(27-4-6-31-7-5-27)11-21(26-23)16-8-18(30-3)10-19(9-16)32-14-17(29)12-24/h8-11,13,15,17,29H,4-7,12,14,24H2,1-3H3.
What are the key properties of 1-amino-3-[3-methoxy-5-(4-morpholin-4-yl-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenoxy]propan-2-ol?
1-amino-3-[3-methoxy-5-(4-morpholin-4-yl-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenoxy]propan-2-ol has a molecular weight of 441.53 g/mol, XLogP of 2.22, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-[3-methoxy-5-(4-morpholin-4-yl-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenoxy]propan-2-ol is sourced from PubChem (CID 85472032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).