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

C24H33N5O4 — CID 85472164

IUPAC1-[3-methoxy-5-(4-morpholin-4-yl-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenoxy]-3-(methylamino)propan-2-ol
SMILESCNCC(O)COc1cc(OC)cc(-c2cc(N3CCOCC3)c3cnn(C(C)C)c3n2)c1
InChIInChI=1S/C24H33N5O4/c1-16(2)29-24-21(14-26-29)23(28-5-7-32-8-6-28)12-22(27-24)17-9-19(31-4)11-20(10-17)33-15-18(30)13-25-3/h9-12,14,16,18,25,30H,5-8,13,15H2,1-4H3
InChIKeyOCFMGCZZRGAVSK-UHFFFAOYSA-N
MW455.56 g/mol
LogP2.48
Rot. Bonds9

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

1-[3-methoxy-5-(4-morpholin-4-yl-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenoxy]-3-(methylamino)propan-2-ol (PubChem CID 85472164) has the molecular formula C24H33N5O4 and a molecular weight of 455.56 g/mol. Its IUPAC name is 1-[3-methoxy-5-(4-morpholin-4-yl-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenoxy]-3-(methylamino)propan-2-ol.

Molecular Properties

Compound Name1-[3-methoxy-5-(4-morpholin-4-yl-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenoxy]-3-(methylamino)propan-2-ol
PubChem CID85472164
Molecular FormulaC24H33N5O4
Molecular Weight455.56 g/mol
Exact Mass455.25
IUPAC Name1-[3-methoxy-5-(4-morpholin-4-yl-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenoxy]-3-(methylamino)propan-2-ol
SMILESCNCC(O)COc1cc(OC)cc(-c2cc(N3CCOCC3)c3cnn(C(C)C)c3n2)c1
InChIInChI=1S/C24H33N5O4/c1-16(2)29-24-21(14-26-29)23(28-5-7-32-8-6-28)12-22(27-24)17-9-19(31-4)11-20(10-17)33-15-18(30)13-25-3/h9-12,14,16,18,25,30H,5-8,13,15H2,1-4H3
InChIKeyOCFMGCZZRGAVSK-UHFFFAOYSA-N
XLogP2.48
TPSA93.90 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.56
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 1-[3-methoxy-5-(4-morpholin-4-yl-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenoxy]-3-(methylamino)propan-2-ol?
The IUPAC name of 1-[3-methoxy-5-(4-morpholin-4-yl-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenoxy]-3-(methylamino)propan-2-ol (CID 85472164) is 1-[3-methoxy-5-(4-morpholin-4-yl-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenoxy]-3-(methylamino)propan-2-ol.
What is the SMILES notation for 1-[3-methoxy-5-(4-morpholin-4-yl-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenoxy]-3-(methylamino)propan-2-ol?
The canonical SMILES for 1-[3-methoxy-5-(4-morpholin-4-yl-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenoxy]-3-(methylamino)propan-2-ol is CNCC(O)COc1cc(OC)cc(-c2cc(N3CCOCC3)c3cnn(C(C)C)c3n2)c1.
What is the InChIKey of 1-[3-methoxy-5-(4-morpholin-4-yl-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenoxy]-3-(methylamino)propan-2-ol?
The InChIKey is OCFMGCZZRGAVSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N5O4/c1-16(2)29-24-21(14-26-29)23(28-5-7-32-8-6-28)12-22(27-24)17-9-19(31-4)11-20(10-17)33-15-18(30)13-25-3/h9-12,14,16,18,25,30H,5-8,13,15H2,1-4H3.
What are the key properties of 1-[3-methoxy-5-(4-morpholin-4-yl-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenoxy]-3-(methylamino)propan-2-ol?
1-[3-methoxy-5-(4-morpholin-4-yl-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenoxy]-3-(methylamino)propan-2-ol has a molecular weight of 455.56 g/mol, XLogP of 2.48, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methoxy-5-(4-morpholin-4-yl-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenoxy]-3-(methylamino)propan-2-ol is sourced from PubChem (CID 85472164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).