8-(6-chloro-1H-indazol-4-yl)-3-[(1-methylimidazol-2-yl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;1-[9-(6-chloro-1H-indazol-4-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]ethanone;8-(6-chloro-1H-indazol-4-yl)-3-(1,3-oxazol-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;1-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]imidazolidin-2-one

C69H76Cl4N22O8 — CID 159322856

IUPAC8-(6-chloro-1H-indazol-4-yl)-3-[(1-methylimidazol-2-yl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;1-[9-(6-chloro-1H-indazol-4-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]ethanone;8-(6-chloro-1H-indazol-4-yl)-3-(1,3-oxazol-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;1-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]imidazolidin-2-one
SMILESCC(=O)N1CCOC2(CCN(c3cc(Cl)cc4[nH]ncc34)CC2)C1.Cn1ccnc1CN1C(=O)NC2(CCN(c3cc(Cl)cc4[nH]ncc34)CC2)C1=O.O=C1NC2(CCN(c3cc(Cl)cc4[nH]ncc34)CC2)C(=O)N1Cc1ncco1.O=C1NCCN1C1CCN(c2cc(Cl)cc3[nH]ncc23)CC1
InChIInChI=1S/C19H20ClN7O2.C18H17ClN6O3.C17H21ClN4O2.C15H18ClN5O/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;19-11-7-13-12(9-21-23-13)14(8-11)24-4-1-18(2-5-24)16(26)25(17(27)22-18)10-15-20-3-6-28-15;1-12(23)22-6-7-24-17(11-22)2-4-21(5-3-17)16-9-13(18)8-15-14(16)10-19-20-15;16-10-7-13-12(9-18-19-13)14(8-10)20-4-1-11(2-5-20)21-6-3-17-15(21)22/h4,7-10H,2-3,5-6,11H2,1H3,(H,22,24)(H,23,29);3,6-9H,1-2,4-5,10H2,(H,21,23)(H,22,27);8-10H,2-7,11H2,1H3,(H,19,20);7-9,11H,1-6H2,(H,17,22)(H,18,19)
InChIKeyLDZFWLGIUBJTKC-UHFFFAOYSA-N
MW1483.32 g/mol
LogP8.98
Rot. Bonds9

About 8-(6-chloro-1H-indazol-4-yl)-3-[(1-methylimidazol-2-yl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;1-[9-(6-chloro-1H-indazol-4-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]ethanone;8-(6-chloro-1H-indazol-4-yl)-3-(1,3-oxazol-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;1-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]imidazolidin-2-one

8-(6-chloro-1H-indazol-4-yl)-3-[(1-methylimidazol-2-yl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;1-[9-(6-chloro-1H-indazol-4-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]ethanone;8-(6-chloro-1H-indazol-4-yl)-3-(1,3-oxazol-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;1-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]imidazolidin-2-one (PubChem CID 159322856) has the molecular formula C69H76Cl4N22O8 and a molecular weight of 1483.32 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;1-[9-(6-chloro-1H-indazol-4-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]ethanone;8-(6-chloro-1H-indazol-4-yl)-3-(1,3-oxazol-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;1-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]imidazolidin-2-one.

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;1-[9-(6-chloro-1H-indazol-4-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]ethanone;8-(6-chloro-1H-indazol-4-yl)-3-(1,3-oxazol-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;1-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]imidazolidin-2-one
PubChem CID159322856
Molecular FormulaC69H76Cl4N22O8
Molecular Weight1483.32 g/mol
Exact Mass1480.50
IUPAC Name8-(6-chloro-1H-indazol-4-yl)-3-[(1-methylimidazol-2-yl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;1-[9-(6-chloro-1H-indazol-4-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]ethanone;8-(6-chloro-1H-indazol-4-yl)-3-(1,3-oxazol-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;1-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]imidazolidin-2-one
SMILESCC(=O)N1CCOC2(CCN(c3cc(Cl)cc4[nH]ncc34)CC2)C1.Cn1ccnc1CN1C(=O)NC2(CCN(c3cc(Cl)cc4[nH]ncc34)CC2)C1=O.O=C1NC2(CCN(c3cc(Cl)cc4[nH]ncc34)CC2)C(=O)N1Cc1ncco1.O=C1NCCN1C1CCN(c2cc(Cl)cc3[nH]ncc23)CC1
InChIInChI=1S/C19H20ClN7O2.C18H17ClN6O3.C17H21ClN4O2.C15H18ClN5O/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;19-11-7-13-12(9-21-23-13)14(8-11)24-4-1-18(2-5-24)16(26)25(17(27)22-18)10-15-20-3-6-28-15;1-12(23)22-6-7-24-17(11-22)2-4-21(5-3-17)16-9-13(18)8-15-14(16)10-19-20-15;16-10-7-13-12(9-18-19-13)14(8-10)20-4-1-11(2-5-20)21-6-3-17-15(21)22/h4,7-10H,2-3,5-6,11H2,1H3,(H,22,24)(H,23,29);3,6-9H,1-2,4-5,10H2,(H,21,23)(H,22,27);8-10H,2-7,11H2,1H3,(H,19,20);7-9,11H,1-6H2,(H,17,22)(H,18,19)
InChIKeyLDZFWLGIUBJTKC-UHFFFAOYSA-N
XLogP8.98
TPSA332.23 Ų
H-Bond Donors7
H-Bond Acceptors19
Rotatable Bonds9
Heavy Atoms103
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001483.32
LogP ≤ 58.98
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

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

Analyze 8-(6-chloro-1H-indazol-4-yl)-3-[(1-methylimidazol-2-yl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;1-[9-(6-chloro-1H-indazol-4-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]ethanone;8-(6-chloro-1H-indazol-4-yl)-3-(1,3-oxazol-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;1-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]imidazolidin-2-one with MolForge

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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;1-[9-(6-chloro-1H-indazol-4-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]ethanone;8-(6-chloro-1H-indazol-4-yl)-3-(1,3-oxazol-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;1-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]imidazolidin-2-one?
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;1-[9-(6-chloro-1H-indazol-4-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]ethanone;8-(6-chloro-1H-indazol-4-yl)-3-(1,3-oxazol-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;1-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]imidazolidin-2-one (CID 159322856) is 8-(6-chloro-1H-indazol-4-yl)-3-[(1-methylimidazol-2-yl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;1-[9-(6-chloro-1H-indazol-4-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]ethanone;8-(6-chloro-1H-indazol-4-yl)-3-(1,3-oxazol-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;1-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]imidazolidin-2-one.
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;1-[9-(6-chloro-1H-indazol-4-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]ethanone;8-(6-chloro-1H-indazol-4-yl)-3-(1,3-oxazol-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;1-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]imidazolidin-2-one?
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;1-[9-(6-chloro-1H-indazol-4-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]ethanone;8-(6-chloro-1H-indazol-4-yl)-3-(1,3-oxazol-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;1-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]imidazolidin-2-one is CC(=O)N1CCOC2(CCN(c3cc(Cl)cc4[nH]ncc34)CC2)C1.Cn1ccnc1CN1C(=O)NC2(CCN(c3cc(Cl)cc4[nH]ncc34)CC2)C1=O.O=C1NC2(CCN(c3cc(Cl)cc4[nH]ncc34)CC2)C(=O)N1Cc1ncco1.O=C1NCCN1C1CCN(c2cc(Cl)cc3[nH]ncc23)CC1.
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;1-[9-(6-chloro-1H-indazol-4-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]ethanone;8-(6-chloro-1H-indazol-4-yl)-3-(1,3-oxazol-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;1-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]imidazolidin-2-one?
The InChIKey is LDZFWLGIUBJTKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN7O2.C18H17ClN6O3.C17H21ClN4O2.C15H18ClN5O/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;19-11-7-13-12(9-21-23-13)14(8-11)24-4-1-18(2-5-24)16(26)25(17(27)22-18)10-15-20-3-6-28-15;1-12(23)22-6-7-24-17(11-22)2-4-21(5-3-17)16-9-13(18)8-15-14(16)10-19-20-15;16-10-7-13-12(9-18-19-13)14(8-10)20-4-1-11(2-5-20)21-6-3-17-15(21)22/h4,7-10H,2-3,5-6,11H2,1H3,(H,22,24)(H,23,29);3,6-9H,1-2,4-5,10H2,(H,21,23)(H,22,27);8-10H,2-7,11H2,1H3,(H,19,20);7-9,11H,1-6H2,(H,17,22)(H,18,19).
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;1-[9-(6-chloro-1H-indazol-4-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]ethanone;8-(6-chloro-1H-indazol-4-yl)-3-(1,3-oxazol-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;1-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]imidazolidin-2-one?
8-(6-chloro-1H-indazol-4-yl)-3-[(1-methylimidazol-2-yl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;1-[9-(6-chloro-1H-indazol-4-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]ethanone;8-(6-chloro-1H-indazol-4-yl)-3-(1,3-oxazol-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;1-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]imidazolidin-2-one has a molecular weight of 1483.32 g/mol, XLogP of 8.98, 9 rotatable bonds, 7 hydrogen bond donors, and 19 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;1-[9-(6-chloro-1H-indazol-4-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]ethanone;8-(6-chloro-1H-indazol-4-yl)-3-(1,3-oxazol-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;1-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]imidazolidin-2-one is sourced from PubChem (CID 159322856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).