4-(1H-indazol-5-yl)-6-pyrrolidin-1-yl-1H-pyridin-2-one

C16H16N4O — CID 59028174

IUPAC4-(1H-indazol-5-yl)-6-pyrrolidin-1-yl-1H-pyridin-2-one
SMILESO=c1cc(-c2ccc3[nH]ncc3c2)cc(N2CCCC2)[nH]1
InChIInChI=1S/C16H16N4O/c21-16-9-12(8-15(18-16)20-5-1-2-6-20)11-3-4-14-13(7-11)10-17-19-14/h3-4,7-10H,1-2,5-6H2,(H,17,19)(H,18,21)
InChIKeyBSZYKERTXVERPP-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.52
Rot. Bonds2

About 4-(1H-indazol-5-yl)-6-pyrrolidin-1-yl-1H-pyridin-2-one

4-(1H-indazol-5-yl)-6-pyrrolidin-1-yl-1H-pyridin-2-one (PubChem CID 59028174) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is 4-(1H-indazol-5-yl)-6-pyrrolidin-1-yl-1H-pyridin-2-one.

Molecular Properties

Compound Name4-(1H-indazol-5-yl)-6-pyrrolidin-1-yl-1H-pyridin-2-one
PubChem CID59028174
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC Name4-(1H-indazol-5-yl)-6-pyrrolidin-1-yl-1H-pyridin-2-one
SMILESO=c1cc(-c2ccc3[nH]ncc3c2)cc(N2CCCC2)[nH]1
InChIInChI=1S/C16H16N4O/c21-16-9-12(8-15(18-16)20-5-1-2-6-20)11-3-4-14-13(7-11)10-17-19-14/h3-4,7-10H,1-2,5-6H2,(H,17,19)(H,18,21)
InChIKeyBSZYKERTXVERPP-UHFFFAOYSA-N
XLogP2.52
TPSA64.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1H-indazol-5-yl)-6-pyrrolidin-1-yl-1H-pyridin-2-one?
The IUPAC name of 4-(1H-indazol-5-yl)-6-pyrrolidin-1-yl-1H-pyridin-2-one (CID 59028174) is 4-(1H-indazol-5-yl)-6-pyrrolidin-1-yl-1H-pyridin-2-one.
What is the SMILES notation for 4-(1H-indazol-5-yl)-6-pyrrolidin-1-yl-1H-pyridin-2-one?
The canonical SMILES for 4-(1H-indazol-5-yl)-6-pyrrolidin-1-yl-1H-pyridin-2-one is O=c1cc(-c2ccc3[nH]ncc3c2)cc(N2CCCC2)[nH]1.
What is the InChIKey of 4-(1H-indazol-5-yl)-6-pyrrolidin-1-yl-1H-pyridin-2-one?
The InChIKey is BSZYKERTXVERPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c21-16-9-12(8-15(18-16)20-5-1-2-6-20)11-3-4-14-13(7-11)10-17-19-14/h3-4,7-10H,1-2,5-6H2,(H,17,19)(H,18,21).
What are the key properties of 4-(1H-indazol-5-yl)-6-pyrrolidin-1-yl-1H-pyridin-2-one?
4-(1H-indazol-5-yl)-6-pyrrolidin-1-yl-1H-pyridin-2-one has a molecular weight of 280.33 g/mol, XLogP of 2.52, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-indazol-5-yl)-6-pyrrolidin-1-yl-1H-pyridin-2-one is sourced from PubChem (CID 59028174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).