1-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]pyrrolidin-2-one

C16H19ClN4O — CID 121326213

IUPAC1-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]pyrrolidin-2-one
SMILESO=C1CCCN1C1CCN(c2cc(Cl)cc3[nH]ncc23)CC1
InChIInChI=1S/C16H19ClN4O/c17-11-8-14-13(10-18-19-14)15(9-11)20-6-3-12(4-7-20)21-5-1-2-16(21)22/h8-10,12H,1-7H2,(H,18,19)
InChIKeyVCBZOBKUSPRIRL-UHFFFAOYSA-N
MW318.81 g/mol
LogP2.81
Rot. Bonds2

About 1-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]pyrrolidin-2-one

1-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]pyrrolidin-2-one (PubChem CID 121326213) has the molecular formula C16H19ClN4O and a molecular weight of 318.81 g/mol. Its IUPAC name is 1-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]pyrrolidin-2-one
PubChem CID121326213
Molecular FormulaC16H19ClN4O
Molecular Weight318.81 g/mol
Exact Mass318.12
IUPAC Name1-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]pyrrolidin-2-one
SMILESO=C1CCCN1C1CCN(c2cc(Cl)cc3[nH]ncc23)CC1
InChIInChI=1S/C16H19ClN4O/c17-11-8-14-13(10-18-19-14)15(9-11)20-6-3-12(4-7-20)21-5-1-2-16(21)22/h8-10,12H,1-7H2,(H,18,19)
InChIKeyVCBZOBKUSPRIRL-UHFFFAOYSA-N
XLogP2.81
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.81
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]pyrrolidin-2-one?
The IUPAC name of 1-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]pyrrolidin-2-one (CID 121326213) is 1-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]pyrrolidin-2-one is O=C1CCCN1C1CCN(c2cc(Cl)cc3[nH]ncc23)CC1.
What is the InChIKey of 1-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]pyrrolidin-2-one?
The InChIKey is VCBZOBKUSPRIRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4O/c17-11-8-14-13(10-18-19-14)15(9-11)20-6-3-12(4-7-20)21-5-1-2-16(21)22/h8-10,12H,1-7H2,(H,18,19).
What are the key properties of 1-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]pyrrolidin-2-one?
1-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]pyrrolidin-2-one has a molecular weight of 318.81 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]pyrrolidin-2-one is sourced from PubChem (CID 121326213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).