8-(6-chloro-1H-indazol-4-yl)-3-[(1-methylimidazol-2-yl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione

C19H20ClN7O2 — CID 121326720

IUPAC8-(6-chloro-1H-indazol-4-yl)-3-[(1-methylimidazol-2-yl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCn1ccnc1CN1C(=O)NC2(CCN(c3cc(Cl)cc4[nH]ncc34)CC2)C1=O
InChIInChI=1S/C19H20ClN7O2/c1-25-7-4-21-16(25)11-27-17(28)19(23-18(27)29)2-5-26(6-3-19)15-9-12(20)8-14-13(15)10-22-24-14/h4,7-10H,2-3,5-6,11H2,1H3,(H,22,24)(H,23,29)
InChIKeyKDSXQHDTWAGBSW-UHFFFAOYSA-N
MW413.87 g/mol
LogP2.04
Rot. Bonds3

About 8-(6-chloro-1H-indazol-4-yl)-3-[(1-methylimidazol-2-yl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione

8-(6-chloro-1H-indazol-4-yl)-3-[(1-methylimidazol-2-yl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 121326720) has the molecular formula C19H20ClN7O2 and a molecular weight of 413.87 g/mol. Its IUPAC name is 8-(6-chloro-1H-indazol-4-yl)-3-[(1-methylimidazol-2-yl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name8-(6-chloro-1H-indazol-4-yl)-3-[(1-methylimidazol-2-yl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID121326720
Molecular FormulaC19H20ClN7O2
Molecular Weight413.87 g/mol
Exact Mass413.14
IUPAC Name8-(6-chloro-1H-indazol-4-yl)-3-[(1-methylimidazol-2-yl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCn1ccnc1CN1C(=O)NC2(CCN(c3cc(Cl)cc4[nH]ncc34)CC2)C1=O
InChIInChI=1S/C19H20ClN7O2/c1-25-7-4-21-16(25)11-27-17(28)19(23-18(27)29)2-5-26(6-3-19)15-9-12(20)8-14-13(15)10-22-24-14/h4,7-10H,2-3,5-6,11H2,1H3,(H,22,24)(H,23,29)
InChIKeyKDSXQHDTWAGBSW-UHFFFAOYSA-N
XLogP2.04
TPSA99.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.87
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-(6-chloro-1H-indazol-4-yl)-3-[(1-methylimidazol-2-yl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 8-(6-chloro-1H-indazol-4-yl)-3-[(1-methylimidazol-2-yl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 121326720) is 8-(6-chloro-1H-indazol-4-yl)-3-[(1-methylimidazol-2-yl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 8-(6-chloro-1H-indazol-4-yl)-3-[(1-methylimidazol-2-yl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 8-(6-chloro-1H-indazol-4-yl)-3-[(1-methylimidazol-2-yl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione is Cn1ccnc1CN1C(=O)NC2(CCN(c3cc(Cl)cc4[nH]ncc34)CC2)C1=O.
What is the InChIKey of 8-(6-chloro-1H-indazol-4-yl)-3-[(1-methylimidazol-2-yl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is KDSXQHDTWAGBSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN7O2/c1-25-7-4-21-16(25)11-27-17(28)19(23-18(27)29)2-5-26(6-3-19)15-9-12(20)8-14-13(15)10-22-24-14/h4,7-10H,2-3,5-6,11H2,1H3,(H,22,24)(H,23,29).
What are the key properties of 8-(6-chloro-1H-indazol-4-yl)-3-[(1-methylimidazol-2-yl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?
8-(6-chloro-1H-indazol-4-yl)-3-[(1-methylimidazol-2-yl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 413.87 g/mol, XLogP of 2.04, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(6-chloro-1H-indazol-4-yl)-3-[(1-methylimidazol-2-yl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 121326720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).