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

C17H18N4O — CID 59028194

IUPAC4-(1H-indazol-5-yl)-6-piperidin-1-yl-1H-pyridin-2-one
SMILESO=c1cc(-c2ccc3[nH]ncc3c2)cc(N2CCCCC2)[nH]1
InChIInChI=1S/C17H18N4O/c22-17-10-13(9-16(19-17)21-6-2-1-3-7-21)12-4-5-15-14(8-12)11-18-20-15/h4-5,8-11H,1-3,6-7H2,(H,18,20)(H,19,22)
InChIKeyPLBOFHYRURWPBF-UHFFFAOYSA-N
MW294.36 g/mol
LogP2.91
Rot. Bonds2

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

4-(1H-indazol-5-yl)-6-piperidin-1-yl-1H-pyridin-2-one (PubChem CID 59028194) has the molecular formula C17H18N4O and a molecular weight of 294.36 g/mol. Its IUPAC name is 4-(1H-indazol-5-yl)-6-piperidin-1-yl-1H-pyridin-2-one.

Molecular Properties

Compound Name4-(1H-indazol-5-yl)-6-piperidin-1-yl-1H-pyridin-2-one
PubChem CID59028194
Molecular FormulaC17H18N4O
Molecular Weight294.36 g/mol
Exact Mass294.15
IUPAC Name4-(1H-indazol-5-yl)-6-piperidin-1-yl-1H-pyridin-2-one
SMILESO=c1cc(-c2ccc3[nH]ncc3c2)cc(N2CCCCC2)[nH]1
InChIInChI=1S/C17H18N4O/c22-17-10-13(9-16(19-17)21-6-2-1-3-7-21)12-4-5-15-14(8-12)11-18-20-15/h4-5,8-11H,1-3,6-7H2,(H,18,20)(H,19,22)
InChIKeyPLBOFHYRURWPBF-UHFFFAOYSA-N
XLogP2.91
TPSA64.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 52.91
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-piperidin-1-yl-1H-pyridin-2-one?
The IUPAC name of 4-(1H-indazol-5-yl)-6-piperidin-1-yl-1H-pyridin-2-one (CID 59028194) is 4-(1H-indazol-5-yl)-6-piperidin-1-yl-1H-pyridin-2-one.
What is the SMILES notation for 4-(1H-indazol-5-yl)-6-piperidin-1-yl-1H-pyridin-2-one?
The canonical SMILES for 4-(1H-indazol-5-yl)-6-piperidin-1-yl-1H-pyridin-2-one is O=c1cc(-c2ccc3[nH]ncc3c2)cc(N2CCCCC2)[nH]1.
What is the InChIKey of 4-(1H-indazol-5-yl)-6-piperidin-1-yl-1H-pyridin-2-one?
The InChIKey is PLBOFHYRURWPBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O/c22-17-10-13(9-16(19-17)21-6-2-1-3-7-21)12-4-5-15-14(8-12)11-18-20-15/h4-5,8-11H,1-3,6-7H2,(H,18,20)(H,19,22).
What are the key properties of 4-(1H-indazol-5-yl)-6-piperidin-1-yl-1H-pyridin-2-one?
4-(1H-indazol-5-yl)-6-piperidin-1-yl-1H-pyridin-2-one has a molecular weight of 294.36 g/mol, XLogP of 2.91, 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-piperidin-1-yl-1H-pyridin-2-one is sourced from PubChem (CID 59028194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).