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

C22H28FN5O3 — CID 131971203

IUPAC1-amino-3-[3-fluoro-5-(4-morpholin-4-yl-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenoxy]propan-2-ol
SMILESCC(C)n1ncc2c(N3CCOCC3)cc(-c3cc(F)cc(OCC(O)CN)c3)nc21
InChIInChI=1S/C22H28FN5O3/c1-14(2)28-22-19(12-25-28)21(27-3-5-30-6-4-27)10-20(26-22)15-7-16(23)9-18(8-15)31-13-17(29)11-24/h7-10,12,14,17,29H,3-6,11,13,24H2,1-2H3
InChIKeyKYNBBNCPISOJKM-UHFFFAOYSA-N
MW429.50 g/mol
LogP2.35
Rot. Bonds7

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

1-amino-3-[3-fluoro-5-(4-morpholin-4-yl-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenoxy]propan-2-ol (PubChem CID 131971203) has the molecular formula C22H28FN5O3 and a molecular weight of 429.50 g/mol. Its IUPAC name is 1-amino-3-[3-fluoro-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-fluoro-5-(4-morpholin-4-yl-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenoxy]propan-2-ol
PubChem CID131971203
Molecular FormulaC22H28FN5O3
Molecular Weight429.50 g/mol
Exact Mass429.22
IUPAC Name1-amino-3-[3-fluoro-5-(4-morpholin-4-yl-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenoxy]propan-2-ol
SMILESCC(C)n1ncc2c(N3CCOCC3)cc(-c3cc(F)cc(OCC(O)CN)c3)nc21
InChIInChI=1S/C22H28FN5O3/c1-14(2)28-22-19(12-25-28)21(27-3-5-30-6-4-27)10-20(26-22)15-7-16(23)9-18(8-15)31-13-17(29)11-24/h7-10,12,14,17,29H,3-6,11,13,24H2,1-2H3
InChIKeyKYNBBNCPISOJKM-UHFFFAOYSA-N
XLogP2.35
TPSA98.66 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.50
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-amino-3-[3-fluoro-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-fluoro-5-(4-morpholin-4-yl-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenoxy]propan-2-ol (CID 131971203) is 1-amino-3-[3-fluoro-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-fluoro-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-fluoro-5-(4-morpholin-4-yl-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenoxy]propan-2-ol is CC(C)n1ncc2c(N3CCOCC3)cc(-c3cc(F)cc(OCC(O)CN)c3)nc21.
What is the InChIKey of 1-amino-3-[3-fluoro-5-(4-morpholin-4-yl-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenoxy]propan-2-ol?
The InChIKey is KYNBBNCPISOJKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28FN5O3/c1-14(2)28-22-19(12-25-28)21(27-3-5-30-6-4-27)10-20(26-22)15-7-16(23)9-18(8-15)31-13-17(29)11-24/h7-10,12,14,17,29H,3-6,11,13,24H2,1-2H3.
What are the key properties of 1-amino-3-[3-fluoro-5-(4-morpholin-4-yl-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenoxy]propan-2-ol?
1-amino-3-[3-fluoro-5-(4-morpholin-4-yl-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenoxy]propan-2-ol has a molecular weight of 429.50 g/mol, XLogP of 2.35, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-[3-fluoro-5-(4-morpholin-4-yl-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenoxy]propan-2-ol is sourced from PubChem (CID 131971203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).