5-(1H-pyrazol-5-yl)-2-[6-(pyrrolidin-1-ylmethyl)naphthalen-2-yl]oxypyridine

C23H22N4O — CID 72950855

IUPAC5-(1H-pyrazol-5-yl)-2-[6-(pyrrolidin-1-ylmethyl)naphthalen-2-yl]oxypyridine
SMILESc1cc(-c2ccc(Oc3ccc4cc(CN5CCCC5)ccc4c3)nc2)[nH]n1
InChIInChI=1S/C23H22N4O/c1-2-12-27(11-1)16-17-3-4-19-14-21(7-5-18(19)13-17)28-23-8-6-20(15-24-23)22-9-10-25-26-22/h3-10,13-15H,1-2,11-12,16H2,(H,25,26)
InChIKeyDJSAWISYNMMQTJ-UHFFFAOYSA-N
MW370.46 g/mol
LogP5.01
Rot. Bonds5

About 5-(1H-pyrazol-5-yl)-2-[6-(pyrrolidin-1-ylmethyl)naphthalen-2-yl]oxypyridine

5-(1H-pyrazol-5-yl)-2-[6-(pyrrolidin-1-ylmethyl)naphthalen-2-yl]oxypyridine (PubChem CID 72950855) has the molecular formula C23H22N4O and a molecular weight of 370.46 g/mol. Its IUPAC name is 5-(1H-pyrazol-5-yl)-2-[6-(pyrrolidin-1-ylmethyl)naphthalen-2-yl]oxypyridine.

Molecular Properties

Compound Name5-(1H-pyrazol-5-yl)-2-[6-(pyrrolidin-1-ylmethyl)naphthalen-2-yl]oxypyridine
PubChem CID72950855
Molecular FormulaC23H22N4O
Molecular Weight370.46 g/mol
Exact Mass370.18
IUPAC Name5-(1H-pyrazol-5-yl)-2-[6-(pyrrolidin-1-ylmethyl)naphthalen-2-yl]oxypyridine
SMILESc1cc(-c2ccc(Oc3ccc4cc(CN5CCCC5)ccc4c3)nc2)[nH]n1
InChIInChI=1S/C23H22N4O/c1-2-12-27(11-1)16-17-3-4-19-14-21(7-5-18(19)13-17)28-23-8-6-20(15-24-23)22-9-10-25-26-22/h3-10,13-15H,1-2,11-12,16H2,(H,25,26)
InChIKeyDJSAWISYNMMQTJ-UHFFFAOYSA-N
XLogP5.01
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.46
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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2-[4-(2-piperidin-1-ylethoxy)phenyl]-4-(1H-pyrazol-5-yl)pyridine
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N-methyl-1-[1-methyl-3-(4-phenoxyphenyl)-1H-pyrazol-4-yl]-N-[(3-methylpyridin-4-yl)methyl]methanamine
CID 16192340
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3,5-dimethyl-4-[2-methyl-4-(1H-pyrazolo[4,5-c]pyridin-4-yloxy)phenyl]-1H-pyridazin-6-one
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Frequently Asked Questions

What is the IUPAC name of 5-(1H-pyrazol-5-yl)-2-[6-(pyrrolidin-1-ylmethyl)naphthalen-2-yl]oxypyridine?
The IUPAC name of 5-(1H-pyrazol-5-yl)-2-[6-(pyrrolidin-1-ylmethyl)naphthalen-2-yl]oxypyridine (CID 72950855) is 5-(1H-pyrazol-5-yl)-2-[6-(pyrrolidin-1-ylmethyl)naphthalen-2-yl]oxypyridine.
What is the SMILES notation for 5-(1H-pyrazol-5-yl)-2-[6-(pyrrolidin-1-ylmethyl)naphthalen-2-yl]oxypyridine?
The canonical SMILES for 5-(1H-pyrazol-5-yl)-2-[6-(pyrrolidin-1-ylmethyl)naphthalen-2-yl]oxypyridine is c1cc(-c2ccc(Oc3ccc4cc(CN5CCCC5)ccc4c3)nc2)[nH]n1.
What is the InChIKey of 5-(1H-pyrazol-5-yl)-2-[6-(pyrrolidin-1-ylmethyl)naphthalen-2-yl]oxypyridine?
The InChIKey is DJSAWISYNMMQTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O/c1-2-12-27(11-1)16-17-3-4-19-14-21(7-5-18(19)13-17)28-23-8-6-20(15-24-23)22-9-10-25-26-22/h3-10,13-15H,1-2,11-12,16H2,(H,25,26).
What are the key properties of 5-(1H-pyrazol-5-yl)-2-[6-(pyrrolidin-1-ylmethyl)naphthalen-2-yl]oxypyridine?
5-(1H-pyrazol-5-yl)-2-[6-(pyrrolidin-1-ylmethyl)naphthalen-2-yl]oxypyridine has a molecular weight of 370.46 g/mol, XLogP of 5.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-pyrazol-5-yl)-2-[6-(pyrrolidin-1-ylmethyl)naphthalen-2-yl]oxypyridine is sourced from PubChem (CID 72950855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).