[6-(5-bromoindazol-1-yl)-3-pyridinyl]-(4,4-difluoropiperidin-1-yl)methanone

C18H15BrF2N4O — CID 168987901

IUPAC[6-(5-bromoindazol-1-yl)-3-pyridinyl]-(4,4-difluoropiperidin-1-yl)methanone
SMILESO=C(c1ccc(-n2ncc3cc(Br)ccc32)nc1)N1CCC(F)(F)CC1
InChIInChI=1S/C18H15BrF2N4O/c19-14-2-3-15-13(9-14)11-23-25(15)16-4-1-12(10-22-16)17(26)24-7-5-18(20,21)6-8-24/h1-4,9-11H,5-8H2
InChIKeyUQZSHXANRDTQNG-UHFFFAOYSA-N
MW421.25 g/mol
LogP4.05
Rot. Bonds2

About [6-(5-bromoindazol-1-yl)-3-pyridinyl]-(4,4-difluoropiperidin-1-yl)methanone

[6-(5-bromoindazol-1-yl)-3-pyridinyl]-(4,4-difluoropiperidin-1-yl)methanone (PubChem CID 168987901) has the molecular formula C18H15BrF2N4O and a molecular weight of 421.25 g/mol. Its IUPAC name is [6-(5-bromoindazol-1-yl)-3-pyridinyl]-(4,4-difluoropiperidin-1-yl)methanone.

Molecular Properties

Compound Name[6-(5-bromoindazol-1-yl)-3-pyridinyl]-(4,4-difluoropiperidin-1-yl)methanone
PubChem CID168987901
Molecular FormulaC18H15BrF2N4O
Molecular Weight421.25 g/mol
Exact Mass420.04
IUPAC Name[6-(5-bromoindazol-1-yl)-3-pyridinyl]-(4,4-difluoropiperidin-1-yl)methanone
SMILESO=C(c1ccc(-n2ncc3cc(Br)ccc32)nc1)N1CCC(F)(F)CC1
InChIInChI=1S/C18H15BrF2N4O/c19-14-2-3-15-13(9-14)11-23-25(15)16-4-1-12(10-22-16)17(26)24-7-5-18(20,21)6-8-24/h1-4,9-11H,5-8H2
InChIKeyUQZSHXANRDTQNG-UHFFFAOYSA-N
XLogP4.05
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.25
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [6-(5-bromoindazol-1-yl)-3-pyridinyl]-(4,4-difluoropiperidin-1-yl)methanone?
The IUPAC name of [6-(5-bromoindazol-1-yl)-3-pyridinyl]-(4,4-difluoropiperidin-1-yl)methanone (CID 168987901) is [6-(5-bromoindazol-1-yl)-3-pyridinyl]-(4,4-difluoropiperidin-1-yl)methanone.
What is the SMILES notation for [6-(5-bromoindazol-1-yl)-3-pyridinyl]-(4,4-difluoropiperidin-1-yl)methanone?
The canonical SMILES for [6-(5-bromoindazol-1-yl)-3-pyridinyl]-(4,4-difluoropiperidin-1-yl)methanone is O=C(c1ccc(-n2ncc3cc(Br)ccc32)nc1)N1CCC(F)(F)CC1.
What is the InChIKey of [6-(5-bromoindazol-1-yl)-3-pyridinyl]-(4,4-difluoropiperidin-1-yl)methanone?
The InChIKey is UQZSHXANRDTQNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrF2N4O/c19-14-2-3-15-13(9-14)11-23-25(15)16-4-1-12(10-22-16)17(26)24-7-5-18(20,21)6-8-24/h1-4,9-11H,5-8H2.
What are the key properties of [6-(5-bromoindazol-1-yl)-3-pyridinyl]-(4,4-difluoropiperidin-1-yl)methanone?
[6-(5-bromoindazol-1-yl)-3-pyridinyl]-(4,4-difluoropiperidin-1-yl)methanone has a molecular weight of 421.25 g/mol, XLogP of 4.05, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(5-bromoindazol-1-yl)-3-pyridinyl]-(4,4-difluoropiperidin-1-yl)methanone is sourced from PubChem (CID 168987901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).