6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1-(trifluoromethyl)isoquinolin-4-ol

C16H10F3N5O — CID 137285199

IUPAC6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1-(trifluoromethyl)isoquinolin-4-ol
SMILESOc1cnc(C(F)(F)F)c2ccc(Nc3n[nH]c4cccnc34)cc12
InChIInChI=1S/C16H10F3N5O/c17-16(18,19)14-9-4-3-8(6-10(9)12(25)7-21-14)22-15-13-11(23-24-15)2-1-5-20-13/h1-7,25H,(H2,22,23,24)
InChIKeyDTUVDLQXJDGGNN-UHFFFAOYSA-N
MW345.28 g/mol
LogP3.97
Rot. Bonds2

About 6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1-(trifluoromethyl)isoquinolin-4-ol

6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1-(trifluoromethyl)isoquinolin-4-ol (PubChem CID 137285199) has the molecular formula C16H10F3N5O and a molecular weight of 345.28 g/mol. Its IUPAC name is 6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1-(trifluoromethyl)isoquinolin-4-ol.

Molecular Properties

Compound Name6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1-(trifluoromethyl)isoquinolin-4-ol
PubChem CID137285199
Molecular FormulaC16H10F3N5O
Molecular Weight345.28 g/mol
Exact Mass345.08
IUPAC Name6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1-(trifluoromethyl)isoquinolin-4-ol
SMILESOc1cnc(C(F)(F)F)c2ccc(Nc3n[nH]c4cccnc34)cc12
InChIInChI=1S/C16H10F3N5O/c17-16(18,19)14-9-4-3-8(6-10(9)12(25)7-21-14)22-15-13-11(23-24-15)2-1-5-20-13/h1-7,25H,(H2,22,23,24)
InChIKeyDTUVDLQXJDGGNN-UHFFFAOYSA-N
XLogP3.97
TPSA86.72 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.28
LogP ≤ 53.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1-(trifluoromethyl)isoquinolin-4-ol?
The IUPAC name of 6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1-(trifluoromethyl)isoquinolin-4-ol (CID 137285199) is 6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1-(trifluoromethyl)isoquinolin-4-ol.
What is the SMILES notation for 6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1-(trifluoromethyl)isoquinolin-4-ol?
The canonical SMILES for 6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1-(trifluoromethyl)isoquinolin-4-ol is Oc1cnc(C(F)(F)F)c2ccc(Nc3n[nH]c4cccnc34)cc12.
What is the InChIKey of 6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1-(trifluoromethyl)isoquinolin-4-ol?
The InChIKey is DTUVDLQXJDGGNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F3N5O/c17-16(18,19)14-9-4-3-8(6-10(9)12(25)7-21-14)22-15-13-11(23-24-15)2-1-5-20-13/h1-7,25H,(H2,22,23,24).
What are the key properties of 6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1-(trifluoromethyl)isoquinolin-4-ol?
6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1-(trifluoromethyl)isoquinolin-4-ol has a molecular weight of 345.28 g/mol, XLogP of 3.97, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1-(trifluoromethyl)isoquinolin-4-ol is sourced from PubChem (CID 137285199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).