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

C24H30F3N5O3 — CID 85471506

IUPAC1-(methylamino)-3-[3-(4-morpholin-4-yl-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)-5-(trifluoromethyl)phenoxy]propan-2-ol
SMILESCNCC(O)COc1cc(-c2cc(N3CCOCC3)c3cnn(C(C)C)c3n2)cc(C(F)(F)F)c1
InChIInChI=1S/C24H30F3N5O3/c1-15(2)32-23-20(13-29-32)22(31-4-6-34-7-5-31)11-21(30-23)16-8-17(24(25,26)27)10-19(9-16)35-14-18(33)12-28-3/h8-11,13,15,18,28,33H,4-7,12,14H2,1-3H3
InChIKeyAUUUMGBGACQMCI-UHFFFAOYSA-N
MW493.53 g/mol
LogP3.49
Rot. Bonds8

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

1-(methylamino)-3-[3-(4-morpholin-4-yl-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)-5-(trifluoromethyl)phenoxy]propan-2-ol (PubChem CID 85471506) has the molecular formula C24H30F3N5O3 and a molecular weight of 493.53 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-(trifluoromethyl)phenoxy]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-(trifluoromethyl)phenoxy]propan-2-ol
PubChem CID85471506
Molecular FormulaC24H30F3N5O3
Molecular Weight493.53 g/mol
Exact Mass493.23
IUPAC Name1-(methylamino)-3-[3-(4-morpholin-4-yl-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)-5-(trifluoromethyl)phenoxy]propan-2-ol
SMILESCNCC(O)COc1cc(-c2cc(N3CCOCC3)c3cnn(C(C)C)c3n2)cc(C(F)(F)F)c1
InChIInChI=1S/C24H30F3N5O3/c1-15(2)32-23-20(13-29-32)22(31-4-6-34-7-5-31)11-21(30-23)16-8-17(24(25,26)27)10-19(9-16)35-14-18(33)12-28-3/h8-11,13,15,18,28,33H,4-7,12,14H2,1-3H3
InChIKeyAUUUMGBGACQMCI-UHFFFAOYSA-N
XLogP3.49
TPSA84.67 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.53
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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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-(trifluoromethyl)phenoxy]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-(trifluoromethyl)phenoxy]propan-2-ol (CID 85471506) is 1-(methylamino)-3-[3-(4-morpholin-4-yl-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)-5-(trifluoromethyl)phenoxy]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-(trifluoromethyl)phenoxy]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-(trifluoromethyl)phenoxy]propan-2-ol is CNCC(O)COc1cc(-c2cc(N3CCOCC3)c3cnn(C(C)C)c3n2)cc(C(F)(F)F)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-(trifluoromethyl)phenoxy]propan-2-ol?
The InChIKey is AUUUMGBGACQMCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30F3N5O3/c1-15(2)32-23-20(13-29-32)22(31-4-6-34-7-5-31)11-21(30-23)16-8-17(24(25,26)27)10-19(9-16)35-14-18(33)12-28-3/h8-11,13,15,18,28,33H,4-7,12,14H2,1-3H3.
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-(trifluoromethyl)phenoxy]propan-2-ol?
1-(methylamino)-3-[3-(4-morpholin-4-yl-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)-5-(trifluoromethyl)phenoxy]propan-2-ol has a molecular weight of 493.53 g/mol, XLogP of 3.49, 8 rotatable bonds, 2 hydrogen bond donors, and 8 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-(trifluoromethyl)phenoxy]propan-2-ol is sourced from PubChem (CID 85471506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).