8-(6-chloro-1H-indazol-4-yl)-3-(cyclohexylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-(6-chloro-1H-indazol-4-yl)-3-(cyclopropylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-(6-chloro-1H-indazol-4-yl)-3-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-(6-chloro-1H-indazol-4-yl)-3-(oxan-4-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

C77H92Cl4N20O9 — CID 158260213

IUPAC8-(6-chloro-1H-indazol-4-yl)-3-(cyclohexylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-(6-chloro-1H-indazol-4-yl)-3-(cyclopropylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-(6-chloro-1H-indazol-4-yl)-3-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-(6-chloro-1H-indazol-4-yl)-3-(oxan-4-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCC(C)CN1C(=O)NC2(CCN(c3cc(Cl)cc4[nH]ncc34)CC2)C1=O.O=C1NC2(CCN(c3cc(Cl)cc4[nH]ncc34)CC2)C(=O)N1CC1CC1.O=C1NC2(CCN(c3cc(Cl)cc4[nH]ncc34)CC2)C(=O)N1CC1CCCCC1.O=C1NC2(CCN(c3cc(Cl)cc4[nH]ncc34)CC2)C(=O)N1CC1CCOCC1
InChIInChI=1S/C21H26ClN5O2.C20H24ClN5O3.C18H20ClN5O2.C18H22ClN5O2/c22-15-10-17-16(12-23-25-17)18(11-15)26-8-6-21(7-9-26)19(28)27(20(29)24-21)13-14-4-2-1-3-5-14;21-14-9-16-15(11-22-24-16)17(10-14)25-5-3-20(4-6-25)18(27)26(19(28)23-20)12-13-1-7-29-8-2-13;19-12-7-14-13(9-20-22-14)15(8-12)23-5-3-18(4-6-23)16(25)24(17(26)21-18)10-11-1-2-11;1-11(2)10-24-16(25)18(21-17(24)26)3-5-23(6-4-18)15-8-12(19)7-14-13(15)9-20-22-14/h10-12,14H,1-9,13H2,(H,23,25)(H,24,29);9-11,13H,1-8,12H2,(H,22,24)(H,23,28);7-9,11H,1-6,10H2,(H,20,22)(H,21,26);7-9,11H,3-6,10H2,1-2H3,(H,20,22)(H,21,26)
InChIKeyGHUBGTJEIGHBNN-UHFFFAOYSA-N
MW1583.53 g/mol
LogP11.50
Rot. Bonds12

About 8-(6-chloro-1H-indazol-4-yl)-3-(cyclohexylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-(6-chloro-1H-indazol-4-yl)-3-(cyclopropylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-(6-chloro-1H-indazol-4-yl)-3-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-(6-chloro-1H-indazol-4-yl)-3-(oxan-4-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

8-(6-chloro-1H-indazol-4-yl)-3-(cyclohexylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-(6-chloro-1H-indazol-4-yl)-3-(cyclopropylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-(6-chloro-1H-indazol-4-yl)-3-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-(6-chloro-1H-indazol-4-yl)-3-(oxan-4-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 158260213) has the molecular formula C77H92Cl4N20O9 and a molecular weight of 1583.53 g/mol. Its IUPAC name is 8-(6-chloro-1H-indazol-4-yl)-3-(cyclohexylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-(6-chloro-1H-indazol-4-yl)-3-(cyclopropylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-(6-chloro-1H-indazol-4-yl)-3-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-(6-chloro-1H-indazol-4-yl)-3-(oxan-4-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name8-(6-chloro-1H-indazol-4-yl)-3-(cyclohexylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-(6-chloro-1H-indazol-4-yl)-3-(cyclopropylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-(6-chloro-1H-indazol-4-yl)-3-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-(6-chloro-1H-indazol-4-yl)-3-(oxan-4-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID158260213
Molecular FormulaC77H92Cl4N20O9
Molecular Weight1583.53 g/mol
Exact Mass1580.61
IUPAC Name8-(6-chloro-1H-indazol-4-yl)-3-(cyclohexylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-(6-chloro-1H-indazol-4-yl)-3-(cyclopropylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-(6-chloro-1H-indazol-4-yl)-3-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-(6-chloro-1H-indazol-4-yl)-3-(oxan-4-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCC(C)CN1C(=O)NC2(CCN(c3cc(Cl)cc4[nH]ncc34)CC2)C1=O.O=C1NC2(CCN(c3cc(Cl)cc4[nH]ncc34)CC2)C(=O)N1CC1CC1.O=C1NC2(CCN(c3cc(Cl)cc4[nH]ncc34)CC2)C(=O)N1CC1CCCCC1.O=C1NC2(CCN(c3cc(Cl)cc4[nH]ncc34)CC2)C(=O)N1CC1CCOCC1
InChIInChI=1S/C21H26ClN5O2.C20H24ClN5O3.C18H20ClN5O2.C18H22ClN5O2/c22-15-10-17-16(12-23-25-17)18(11-15)26-8-6-21(7-9-26)19(28)27(20(29)24-21)13-14-4-2-1-3-5-14;21-14-9-16-15(11-22-24-16)17(10-14)25-5-3-20(4-6-25)18(27)26(19(28)23-20)12-13-1-7-29-8-2-13;19-12-7-14-13(9-20-22-14)15(8-12)23-5-3-18(4-6-23)16(25)24(17(26)21-18)10-11-1-2-11;1-11(2)10-24-16(25)18(21-17(24)26)3-5-23(6-4-18)15-8-12(19)7-14-13(15)9-20-22-14/h10-12,14H,1-9,13H2,(H,23,25)(H,24,29);9-11,13H,1-8,12H2,(H,22,24)(H,23,28);7-9,11H,1-6,10H2,(H,20,22)(H,21,26);7-9,11H,3-6,10H2,1-2H3,(H,20,22)(H,21,26)
InChIKeyGHUBGTJEIGHBNN-UHFFFAOYSA-N
XLogP11.50
TPSA334.55 Ų
H-Bond Donors8
H-Bond Acceptors17
Rotatable Bonds12
Heavy Atoms110
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001583.53
LogP ≤ 511.50
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

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

Analyze 8-(6-chloro-1H-indazol-4-yl)-3-(cyclohexylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-(6-chloro-1H-indazol-4-yl)-3-(cyclopropylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-(6-chloro-1H-indazol-4-yl)-3-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-(6-chloro-1H-indazol-4-yl)-3-(oxan-4-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 8-(6-chloro-1H-indazol-4-yl)-3-(cyclohexylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-(6-chloro-1H-indazol-4-yl)-3-(cyclopropylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-(6-chloro-1H-indazol-4-yl)-3-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-(6-chloro-1H-indazol-4-yl)-3-(oxan-4-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 8-(6-chloro-1H-indazol-4-yl)-3-(cyclohexylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-(6-chloro-1H-indazol-4-yl)-3-(cyclopropylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-(6-chloro-1H-indazol-4-yl)-3-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-(6-chloro-1H-indazol-4-yl)-3-(oxan-4-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 158260213) is 8-(6-chloro-1H-indazol-4-yl)-3-(cyclohexylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-(6-chloro-1H-indazol-4-yl)-3-(cyclopropylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-(6-chloro-1H-indazol-4-yl)-3-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-(6-chloro-1H-indazol-4-yl)-3-(oxan-4-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 8-(6-chloro-1H-indazol-4-yl)-3-(cyclohexylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-(6-chloro-1H-indazol-4-yl)-3-(cyclopropylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-(6-chloro-1H-indazol-4-yl)-3-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-(6-chloro-1H-indazol-4-yl)-3-(oxan-4-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 8-(6-chloro-1H-indazol-4-yl)-3-(cyclohexylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-(6-chloro-1H-indazol-4-yl)-3-(cyclopropylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-(6-chloro-1H-indazol-4-yl)-3-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-(6-chloro-1H-indazol-4-yl)-3-(oxan-4-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is CC(C)CN1C(=O)NC2(CCN(c3cc(Cl)cc4[nH]ncc34)CC2)C1=O.O=C1NC2(CCN(c3cc(Cl)cc4[nH]ncc34)CC2)C(=O)N1CC1CC1.O=C1NC2(CCN(c3cc(Cl)cc4[nH]ncc34)CC2)C(=O)N1CC1CCCCC1.O=C1NC2(CCN(c3cc(Cl)cc4[nH]ncc34)CC2)C(=O)N1CC1CCOCC1.
What is the InChIKey of 8-(6-chloro-1H-indazol-4-yl)-3-(cyclohexylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-(6-chloro-1H-indazol-4-yl)-3-(cyclopropylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-(6-chloro-1H-indazol-4-yl)-3-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-(6-chloro-1H-indazol-4-yl)-3-(oxan-4-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is GHUBGTJEIGHBNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClN5O2.C20H24ClN5O3.C18H20ClN5O2.C18H22ClN5O2/c22-15-10-17-16(12-23-25-17)18(11-15)26-8-6-21(7-9-26)19(28)27(20(29)24-21)13-14-4-2-1-3-5-14;21-14-9-16-15(11-22-24-16)17(10-14)25-5-3-20(4-6-25)18(27)26(19(28)23-20)12-13-1-7-29-8-2-13;19-12-7-14-13(9-20-22-14)15(8-12)23-5-3-18(4-6-23)16(25)24(17(26)21-18)10-11-1-2-11;1-11(2)10-24-16(25)18(21-17(24)26)3-5-23(6-4-18)15-8-12(19)7-14-13(15)9-20-22-14/h10-12,14H,1-9,13H2,(H,23,25)(H,24,29);9-11,13H,1-8,12H2,(H,22,24)(H,23,28);7-9,11H,1-6,10H2,(H,20,22)(H,21,26);7-9,11H,3-6,10H2,1-2H3,(H,20,22)(H,21,26).
What are the key properties of 8-(6-chloro-1H-indazol-4-yl)-3-(cyclohexylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-(6-chloro-1H-indazol-4-yl)-3-(cyclopropylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-(6-chloro-1H-indazol-4-yl)-3-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-(6-chloro-1H-indazol-4-yl)-3-(oxan-4-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
8-(6-chloro-1H-indazol-4-yl)-3-(cyclohexylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-(6-chloro-1H-indazol-4-yl)-3-(cyclopropylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-(6-chloro-1H-indazol-4-yl)-3-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-(6-chloro-1H-indazol-4-yl)-3-(oxan-4-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 1583.53 g/mol, XLogP of 11.50, 12 rotatable bonds, 8 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(6-chloro-1H-indazol-4-yl)-3-(cyclohexylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-(6-chloro-1H-indazol-4-yl)-3-(cyclopropylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-(6-chloro-1H-indazol-4-yl)-3-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-(6-chloro-1H-indazol-4-yl)-3-(oxan-4-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 158260213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).