4-[4-(4,6-dimethylpyrimidin-5-yl)-3-methylphenoxy]-1H-pyrazolo[4,5-c]pyridine

C19H17N5O — CID 74223726

IUPAC4-[4-(4,6-dimethylpyrimidin-5-yl)-3-methylphenoxy]-1H-pyrazolo[4,5-c]pyridine
SMILESCc1cc(Oc2nccc3[nH]ncc23)ccc1-c1c(C)ncnc1C
InChIInChI=1S/C19H17N5O/c1-11-8-14(25-19-16-9-23-24-17(16)6-7-20-19)4-5-15(11)18-12(2)21-10-22-13(18)3/h4-10H,1-3H3,(H,23,24)
InChIKeyIDIUJOHYYBNCPC-UHFFFAOYSA-N
MW331.38 g/mol
LogP4.13
Rot. Bonds3

About 4-[4-(4,6-dimethylpyrimidin-5-yl)-3-methylphenoxy]-1H-pyrazolo[4,5-c]pyridine

4-[4-(4,6-dimethylpyrimidin-5-yl)-3-methylphenoxy]-1H-pyrazolo[4,5-c]pyridine (PubChem CID 74223726) has the molecular formula C19H17N5O and a molecular weight of 331.38 g/mol. Its IUPAC name is 4-[4-(4,6-dimethylpyrimidin-5-yl)-3-methylphenoxy]-1H-pyrazolo[4,5-c]pyridine.

Molecular Properties

Compound Name4-[4-(4,6-dimethylpyrimidin-5-yl)-3-methylphenoxy]-1H-pyrazolo[4,5-c]pyridine
PubChem CID74223726
Molecular FormulaC19H17N5O
Molecular Weight331.38 g/mol
Exact Mass331.14
IUPAC Name4-[4-(4,6-dimethylpyrimidin-5-yl)-3-methylphenoxy]-1H-pyrazolo[4,5-c]pyridine
SMILESCc1cc(Oc2nccc3[nH]ncc23)ccc1-c1c(C)ncnc1C
InChIInChI=1S/C19H17N5O/c1-11-8-14(25-19-16-9-23-24-17(16)6-7-20-19)4-5-15(11)18-12(2)21-10-22-13(18)3/h4-10H,1-3H3,(H,23,24)
InChIKeyIDIUJOHYYBNCPC-UHFFFAOYSA-N
XLogP4.13
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4,6-dimethylpyrimidin-5-yl)-3-methylphenoxy]-1H-pyrazolo[4,5-c]pyridine?
The IUPAC name of 4-[4-(4,6-dimethylpyrimidin-5-yl)-3-methylphenoxy]-1H-pyrazolo[4,5-c]pyridine (CID 74223726) is 4-[4-(4,6-dimethylpyrimidin-5-yl)-3-methylphenoxy]-1H-pyrazolo[4,5-c]pyridine.
What is the SMILES notation for 4-[4-(4,6-dimethylpyrimidin-5-yl)-3-methylphenoxy]-1H-pyrazolo[4,5-c]pyridine?
The canonical SMILES for 4-[4-(4,6-dimethylpyrimidin-5-yl)-3-methylphenoxy]-1H-pyrazolo[4,5-c]pyridine is Cc1cc(Oc2nccc3[nH]ncc23)ccc1-c1c(C)ncnc1C.
What is the InChIKey of 4-[4-(4,6-dimethylpyrimidin-5-yl)-3-methylphenoxy]-1H-pyrazolo[4,5-c]pyridine?
The InChIKey is IDIUJOHYYBNCPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O/c1-11-8-14(25-19-16-9-23-24-17(16)6-7-20-19)4-5-15(11)18-12(2)21-10-22-13(18)3/h4-10H,1-3H3,(H,23,24).
What are the key properties of 4-[4-(4,6-dimethylpyrimidin-5-yl)-3-methylphenoxy]-1H-pyrazolo[4,5-c]pyridine?
4-[4-(4,6-dimethylpyrimidin-5-yl)-3-methylphenoxy]-1H-pyrazolo[4,5-c]pyridine has a molecular weight of 331.38 g/mol, XLogP of 4.13, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4,6-dimethylpyrimidin-5-yl)-3-methylphenoxy]-1H-pyrazolo[4,5-c]pyridine is sourced from PubChem (CID 74223726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).