4-(oxan-4-yloxy)-3-(2-pyridin-3-yl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridine

C21H19N5O2 — CID 66828985

IUPAC4-(oxan-4-yloxy)-3-(2-pyridin-3-yl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridine
SMILESc1cncc(-c2cc(-c3n[nH]c4ccnc(OC5CCOCC5)c34)ccn2)c1
InChIInChI=1S/C21H19N5O2/c1-2-15(13-22-7-1)18-12-14(3-8-23-18)20-19-17(25-26-20)4-9-24-21(19)28-16-5-10-27-11-6-16/h1-4,7-9,12-13,16H,5-6,10-11H2,(H,25,26)
InChIKeyFWYWQFBJVLMBAM-UHFFFAOYSA-N
MW373.42 g/mol
LogP3.64
Rot. Bonds4

About 4-(oxan-4-yloxy)-3-(2-pyridin-3-yl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridine

4-(oxan-4-yloxy)-3-(2-pyridin-3-yl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridine (PubChem CID 66828985) has the molecular formula C21H19N5O2 and a molecular weight of 373.42 g/mol. Its IUPAC name is 4-(oxan-4-yloxy)-3-(2-pyridin-3-yl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name4-(oxan-4-yloxy)-3-(2-pyridin-3-yl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridine
PubChem CID66828985
Molecular FormulaC21H19N5O2
Molecular Weight373.42 g/mol
Exact Mass373.15
IUPAC Name4-(oxan-4-yloxy)-3-(2-pyridin-3-yl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridine
SMILESc1cncc(-c2cc(-c3n[nH]c4ccnc(OC5CCOCC5)c34)ccn2)c1
InChIInChI=1S/C21H19N5O2/c1-2-15(13-22-7-1)18-12-14(3-8-23-18)20-19-17(25-26-20)4-9-24-21(19)28-16-5-10-27-11-6-16/h1-4,7-9,12-13,16H,5-6,10-11H2,(H,25,26)
InChIKeyFWYWQFBJVLMBAM-UHFFFAOYSA-N
XLogP3.64
TPSA85.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-(oxan-4-yloxy)-3-(2-pyridin-3-yl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridine with MolForge

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Related Compounds

Abt-107
CID 11151363
2-({4-[4-(pyridin-4-ylmethyl)-1H-pyrazol-3-yl]phenoxy}methyl)quinoline
CID 44141871
4-{2-[(4-{4-[3-(pyridin-2-yl)-1H-pyrazol-4-yl]-pyridin-2-yl}-phenyl)oxy]ethyl}morpholine
CID 11604319
3-[(2S)-2-amino-3-phenylpropoxy]-5-{3-methyl-1H-pyrazolo[3,4-c]pyridin-5-yl}pyridine
CID 23647437
Pyrazole, 19
CID 44234930
4-cyclohexyloxy-3-[(E)-2-(1-methylpyrazol-4-yl)ethenyl]-2H-pyrazolo[4,3-c]pyridine
CID 56943105
5-(1-methylpyrazol-4-yl)-3-[6-[(3R)-piperidin-3-yl]oxy-2-pyridinyl]-1H-pyrazolo[3,4-c]pyridine
CID 71253513
3-[(2S)-2-amino-3-phenylpropoxy]-5-{1H-pyrazolo[3,4-c]pyridin-5-yl}pyridine
CID 23647436
3-[(2S)-2-amino-3-phenylpropoxy]-5-{3-ethenyl-1H-pyrazolo[3,4-c]pyridin-5-yl}pyridine
CID 23647440
3-[(2S)-2-amino-3-phenylpropoxy]-5-{3-phenyl-1H-pyrazolo[3,4-c]pyridin-5-yl}pyridine
CID 23647443
5-{5-[(2S)-2-amino-3-(pyridin-4-yl)propoxy]pyridin-3-yl}-3-methyl-1H-indazole
CID 16037748
3-(2-fluorophenyl)-5-[4-[(3R)-piperidin-3-yl]oxy-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine
CID 122196351

Frequently Asked Questions

What is the IUPAC name of 4-(oxan-4-yloxy)-3-(2-pyridin-3-yl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridine?
The IUPAC name of 4-(oxan-4-yloxy)-3-(2-pyridin-3-yl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridine (CID 66828985) is 4-(oxan-4-yloxy)-3-(2-pyridin-3-yl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridine.
What is the SMILES notation for 4-(oxan-4-yloxy)-3-(2-pyridin-3-yl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridine?
The canonical SMILES for 4-(oxan-4-yloxy)-3-(2-pyridin-3-yl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridine is c1cncc(-c2cc(-c3n[nH]c4ccnc(OC5CCOCC5)c34)ccn2)c1.
What is the InChIKey of 4-(oxan-4-yloxy)-3-(2-pyridin-3-yl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridine?
The InChIKey is FWYWQFBJVLMBAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O2/c1-2-15(13-22-7-1)18-12-14(3-8-23-18)20-19-17(25-26-20)4-9-24-21(19)28-16-5-10-27-11-6-16/h1-4,7-9,12-13,16H,5-6,10-11H2,(H,25,26).
What are the key properties of 4-(oxan-4-yloxy)-3-(2-pyridin-3-yl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridine?
4-(oxan-4-yloxy)-3-(2-pyridin-3-yl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridine has a molecular weight of 373.42 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxan-4-yloxy)-3-(2-pyridin-3-yl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridine is sourced from PubChem (CID 66828985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).