2-[3-(5-chloro-2-fluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridine

C22H18ClFN4O — CID 156903460

IUPAC2-[3-(5-chloro-2-fluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridine
SMILESFc1ccc(Cl)cc1-c1nn(C2CCCCO2)cc1-c1ccc2ncccc2n1
InChIInChI=1S/C22H18ClFN4O/c23-14-6-7-17(24)15(12-14)22-16(13-28(27-22)21-5-1-2-11-29-21)18-8-9-19-20(26-18)4-3-10-25-19/h3-4,6-10,12-13,21H,1-2,5,11H2
InChIKeyLYNQZMUMHVSQEO-UHFFFAOYSA-N
MW408.86 g/mol
LogP5.65
Rot. Bonds3

About 2-[3-(5-chloro-2-fluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridine

2-[3-(5-chloro-2-fluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridine (PubChem CID 156903460) has the molecular formula C22H18ClFN4O and a molecular weight of 408.86 g/mol. Its IUPAC name is 2-[3-(5-chloro-2-fluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridine.

Molecular Properties

Compound Name2-[3-(5-chloro-2-fluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridine
PubChem CID156903460
Molecular FormulaC22H18ClFN4O
Molecular Weight408.86 g/mol
Exact Mass408.12
IUPAC Name2-[3-(5-chloro-2-fluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridine
SMILESFc1ccc(Cl)cc1-c1nn(C2CCCCO2)cc1-c1ccc2ncccc2n1
InChIInChI=1S/C22H18ClFN4O/c23-14-6-7-17(24)15(12-14)22-16(13-28(27-22)21-5-1-2-11-29-21)18-8-9-19-20(26-18)4-3-10-25-19/h3-4,6-10,12-13,21H,1-2,5,11H2
InChIKeyLYNQZMUMHVSQEO-UHFFFAOYSA-N
XLogP5.65
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.86
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(5-Chloro-2-Fluorophenyl)pyridin-4-Yl]-2-[(Piperidin-4-Yl)methyl]-2h-Pyrazolo[4,3-B]pyridin-7-Amine
CID 54671256
2-[7-[[2-(5-Chloro-2-fluorophenyl)-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-2-yl]acetamide
CID 54670034
2-[7-[[2-(5-Chloro-2-fluorophenyl)-5-methyl-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-2-yl]acetamide
CID 54670129
2-[7-[[2-(5-Chloro-2-fluorophenyl)-5-methyl-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-1-yl]acetamide
CID 54670130
TREM2 agonist-2
CID 165412595
6-chloro-N-[4-[4-(morpholin-4-ylmethyl)triazol-1-yl]butyl]-2-[(E)-2-pyridin-4-ylethenyl]quinolin-4-amine
CID 162672058
N-[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]-1-(piperidin-4-ylmethyl)pyrazolo[4,3-b]pyridin-7-amine
CID 54671255
US9725449, Example 4
CID 122686497
US9725449, Example 37
CID 122686504
US9725449, Example 5
CID 122686585
US9725449, Example 280
CID 122694907
US9725449, Example 314
CID 122694935

Frequently Asked Questions

What is the IUPAC name of 2-[3-(5-chloro-2-fluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridine?
The IUPAC name of 2-[3-(5-chloro-2-fluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridine (CID 156903460) is 2-[3-(5-chloro-2-fluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridine.
What is the SMILES notation for 2-[3-(5-chloro-2-fluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridine?
The canonical SMILES for 2-[3-(5-chloro-2-fluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridine is Fc1ccc(Cl)cc1-c1nn(C2CCCCO2)cc1-c1ccc2ncccc2n1.
What is the InChIKey of 2-[3-(5-chloro-2-fluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridine?
The InChIKey is LYNQZMUMHVSQEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClFN4O/c23-14-6-7-17(24)15(12-14)22-16(13-28(27-22)21-5-1-2-11-29-21)18-8-9-19-20(26-18)4-3-10-25-19/h3-4,6-10,12-13,21H,1-2,5,11H2.
What are the key properties of 2-[3-(5-chloro-2-fluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridine?
2-[3-(5-chloro-2-fluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridine has a molecular weight of 408.86 g/mol, XLogP of 5.65, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(5-chloro-2-fluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridine is sourced from PubChem (CID 156903460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).