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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Related Compounds

4-[6-[4-(1-Methylethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
CID 50997747
ML347
CID 44577753
3-[2-(Morpholin-4-Yl)pyridin-4-Yl]-5-[(Propan-2-Yl)oxy]-1h-Indazole
CID 90400979
Pyrazolopyridazine 1
CID 6539361
Pyrazolo[1,5-b]pyridazine deriv. 33
CID 6539375
Pyrazolo[1,5-b]pyridazine deriv. 69
CID 6539411
Pyrazolo[1,5-b]pyridazine deriv. 70
CID 6539412
2-(4-(2-(1H-imidazol-1-yl)ethoxy)phenyl)-4-(3-(pyridin-2-yl)-1H-pyrazol-4-yl)pyridine
CID 10294883
Pyrazole, 16
CID 11567059
N,N-Dimethyl-3-(4-(3-(4-quinolinyl)pyrazolo(1,5-a)pyrimidin-6-yl)phenoxy)-1-propanamine
CID 50997749
US10125144, Example 18
CID 118010994
US11518761, Example 54
CID 156009949

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).