5-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-3-methylimidazolidine-2,4-dione

C16H18ClN5O2 — CID 121326779

IUPAC5-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-3-methylimidazolidine-2,4-dione
SMILESCN1C(=O)NC(C2CCN(c3cc(Cl)cc4[nH]ncc34)CC2)C1=O
InChIInChI=1S/C16H18ClN5O2/c1-21-15(23)14(19-16(21)24)9-2-4-22(5-3-9)13-7-10(17)6-12-11(13)8-18-20-12/h6-9,14H,2-5H2,1H3,(H,18,20)(H,19,24)
InChIKeyWVSQLSUEDGLAPZ-UHFFFAOYSA-N
MW347.81 g/mol
LogP1.98
Rot. Bonds2

About 5-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-3-methylimidazolidine-2,4-dione

5-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-3-methylimidazolidine-2,4-dione (PubChem CID 121326779) has the molecular formula C16H18ClN5O2 and a molecular weight of 347.81 g/mol. Its IUPAC name is 5-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-3-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-3-methylimidazolidine-2,4-dione
PubChem CID121326779
Molecular FormulaC16H18ClN5O2
Molecular Weight347.81 g/mol
Exact Mass347.11
IUPAC Name5-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-3-methylimidazolidine-2,4-dione
SMILESCN1C(=O)NC(C2CCN(c3cc(Cl)cc4[nH]ncc34)CC2)C1=O
InChIInChI=1S/C16H18ClN5O2/c1-21-15(23)14(19-16(21)24)9-2-4-22(5-3-9)13-7-10(17)6-12-11(13)8-18-20-12/h6-9,14H,2-5H2,1H3,(H,18,20)(H,19,24)
InChIKeyWVSQLSUEDGLAPZ-UHFFFAOYSA-N
XLogP1.98
TPSA81.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.81
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-3-methylimidazolidine-2,4-dione?
The IUPAC name of 5-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-3-methylimidazolidine-2,4-dione (CID 121326779) is 5-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-3-methylimidazolidine-2,4-dione.
What is the SMILES notation for 5-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-3-methylimidazolidine-2,4-dione?
The canonical SMILES for 5-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-3-methylimidazolidine-2,4-dione is CN1C(=O)NC(C2CCN(c3cc(Cl)cc4[nH]ncc34)CC2)C1=O.
What is the InChIKey of 5-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-3-methylimidazolidine-2,4-dione?
The InChIKey is WVSQLSUEDGLAPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN5O2/c1-21-15(23)14(19-16(21)24)9-2-4-22(5-3-9)13-7-10(17)6-12-11(13)8-18-20-12/h6-9,14H,2-5H2,1H3,(H,18,20)(H,19,24).
What are the key properties of 5-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-3-methylimidazolidine-2,4-dione?
5-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-3-methylimidazolidine-2,4-dione has a molecular weight of 347.81 g/mol, XLogP of 1.98, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-3-methylimidazolidine-2,4-dione is sourced from PubChem (CID 121326779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).