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

C23H28F3N5O4 — CID 123431645

IUPAC1-amino-3-[3-(4-morpholin-4-yl-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)-5-(trifluoromethoxy)phenoxy]propan-2-ol
SMILESCC(C)n1ncc2c(N3CCOCC3)cc(-c3cc(OCC(O)CN)cc(OC(F)(F)F)c3)nc21
InChIInChI=1S/C23H28F3N5O4/c1-14(2)31-22-19(12-28-31)21(30-3-5-33-6-4-30)10-20(29-22)15-7-17(34-13-16(32)11-27)9-18(8-15)35-23(24,25)26/h7-10,12,14,16,32H,3-6,11,13,27H2,1-2H3
InChIKeyDLUYMAOAPAPGJM-UHFFFAOYSA-N
MW495.50 g/mol
LogP3.11
Rot. Bonds8

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

1-amino-3-[3-(4-morpholin-4-yl-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)-5-(trifluoromethoxy)phenoxy]propan-2-ol (PubChem CID 123431645) has the molecular formula C23H28F3N5O4 and a molecular weight of 495.50 g/mol. Its IUPAC name is 1-amino-3-[3-(4-morpholin-4-yl-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)-5-(trifluoromethoxy)phenoxy]propan-2-ol.

Molecular Properties

Compound Name1-amino-3-[3-(4-morpholin-4-yl-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)-5-(trifluoromethoxy)phenoxy]propan-2-ol
PubChem CID123431645
Molecular FormulaC23H28F3N5O4
Molecular Weight495.50 g/mol
Exact Mass495.21
IUPAC Name1-amino-3-[3-(4-morpholin-4-yl-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)-5-(trifluoromethoxy)phenoxy]propan-2-ol
SMILESCC(C)n1ncc2c(N3CCOCC3)cc(-c3cc(OCC(O)CN)cc(OC(F)(F)F)c3)nc21
InChIInChI=1S/C23H28F3N5O4/c1-14(2)31-22-19(12-28-31)21(30-3-5-33-6-4-30)10-20(29-22)15-7-17(34-13-16(32)11-27)9-18(8-15)35-23(24,25)26/h7-10,12,14,16,32H,3-6,11,13,27H2,1-2H3
InChIKeyDLUYMAOAPAPGJM-UHFFFAOYSA-N
XLogP3.11
TPSA107.89 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.50
LogP ≤ 53.11
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-(4-morpholin-4-yl-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)-5-(trifluoromethoxy)phenoxy]propan-2-ol?
The IUPAC name of 1-amino-3-[3-(4-morpholin-4-yl-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)-5-(trifluoromethoxy)phenoxy]propan-2-ol (CID 123431645) is 1-amino-3-[3-(4-morpholin-4-yl-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)-5-(trifluoromethoxy)phenoxy]propan-2-ol.
What is the SMILES notation for 1-amino-3-[3-(4-morpholin-4-yl-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)-5-(trifluoromethoxy)phenoxy]propan-2-ol?
The canonical SMILES for 1-amino-3-[3-(4-morpholin-4-yl-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)-5-(trifluoromethoxy)phenoxy]propan-2-ol is CC(C)n1ncc2c(N3CCOCC3)cc(-c3cc(OCC(O)CN)cc(OC(F)(F)F)c3)nc21.
What is the InChIKey of 1-amino-3-[3-(4-morpholin-4-yl-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)-5-(trifluoromethoxy)phenoxy]propan-2-ol?
The InChIKey is DLUYMAOAPAPGJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28F3N5O4/c1-14(2)31-22-19(12-28-31)21(30-3-5-33-6-4-30)10-20(29-22)15-7-17(34-13-16(32)11-27)9-18(8-15)35-23(24,25)26/h7-10,12,14,16,32H,3-6,11,13,27H2,1-2H3.
What are the key properties of 1-amino-3-[3-(4-morpholin-4-yl-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)-5-(trifluoromethoxy)phenoxy]propan-2-ol?
1-amino-3-[3-(4-morpholin-4-yl-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)-5-(trifluoromethoxy)phenoxy]propan-2-ol has a molecular weight of 495.50 g/mol, XLogP of 3.11, 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-(4-morpholin-4-yl-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)-5-(trifluoromethoxy)phenoxy]propan-2-ol is sourced from PubChem (CID 123431645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).