N-[2-[8-(6-chloro-1H-indazol-4-yl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]ethyl]acetamide;9-(6-chloro-1H-indazol-4-yl)-4-prop-1-en-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane;1-[1-(6-chloro-1H-indol-4-yl)piperidin-4-yl]imidazolidin-2-one;1-[1-(6-chloro-1H-indol-4-yl)piperidin-4-yl]-3-methylimidazolidin-2-one

C69H84Cl4N18O6 — CID 159918098

IUPACN-[2-[8-(6-chloro-1H-indazol-4-yl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]ethyl]acetamide;9-(6-chloro-1H-indazol-4-yl)-4-prop-1-en-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane;1-[1-(6-chloro-1H-indol-4-yl)piperidin-4-yl]imidazolidin-2-one;1-[1-(6-chloro-1H-indol-4-yl)piperidin-4-yl]-3-methylimidazolidin-2-one
SMILESC=C(C)N1CCOC2(CCN(c3cc(Cl)cc4[nH]ncc34)CC2)C1.CC(=O)NCCN1C(=O)NC2(CCN(c3cc(Cl)cc4[nH]ncc34)CC2)C1=O.CN1CCN(C2CCN(c3cc(Cl)cc4[nH]ccc34)CC2)C1=O.O=C1NCCN1C1CCN(c2cc(Cl)cc3[nH]ccc23)CC1
InChIInChI=1S/C18H21ClN6O3.C18H23ClN4O.C17H21ClN4O.C16H19ClN4O/c1-11(26)20-4-7-25-16(27)18(22-17(25)28)2-5-24(6-3-18)15-9-12(19)8-14-13(15)10-21-23-14;1-13(2)23-7-8-24-18(12-23)3-5-22(6-4-18)17-10-14(19)9-16-15(17)11-20-21-16;1-20-8-9-22(17(20)23)13-3-6-21(7-4-13)16-11-12(18)10-15-14(16)2-5-19-15;17-11-9-14-13(1-4-18-14)15(10-11)20-6-2-12(3-7-20)21-8-5-19-16(21)22/h8-10H,2-7H2,1H3,(H,20,26)(H,21,23)(H,22,28);9-11H,1,3-8,12H2,2H3,(H,20,21);2,5,10-11,13,19H,3-4,6-9H2,1H3;1,4,9-10,12,18H,2-3,5-8H2,(H,19,22)
InChIKeyNYAWHYCLGWCJKA-UHFFFAOYSA-N
MW1403.36 g/mol
LogP10.64
Rot. Bonds10

About N-[2-[8-(6-chloro-1H-indazol-4-yl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]ethyl]acetamide;9-(6-chloro-1H-indazol-4-yl)-4-prop-1-en-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane;1-[1-(6-chloro-1H-indol-4-yl)piperidin-4-yl]imidazolidin-2-one;1-[1-(6-chloro-1H-indol-4-yl)piperidin-4-yl]-3-methylimidazolidin-2-one

N-[2-[8-(6-chloro-1H-indazol-4-yl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]ethyl]acetamide;9-(6-chloro-1H-indazol-4-yl)-4-prop-1-en-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane;1-[1-(6-chloro-1H-indol-4-yl)piperidin-4-yl]imidazolidin-2-one;1-[1-(6-chloro-1H-indol-4-yl)piperidin-4-yl]-3-methylimidazolidin-2-one (PubChem CID 159918098) has the molecular formula C69H84Cl4N18O6 and a molecular weight of 1403.36 g/mol. Its IUPAC name is N-[2-[8-(6-chloro-1H-indazol-4-yl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]ethyl]acetamide;9-(6-chloro-1H-indazol-4-yl)-4-prop-1-en-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane;1-[1-(6-chloro-1H-indol-4-yl)piperidin-4-yl]imidazolidin-2-one;1-[1-(6-chloro-1H-indol-4-yl)piperidin-4-yl]-3-methylimidazolidin-2-one.

Molecular Properties

Compound NameN-[2-[8-(6-chloro-1H-indazol-4-yl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]ethyl]acetamide;9-(6-chloro-1H-indazol-4-yl)-4-prop-1-en-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane;1-[1-(6-chloro-1H-indol-4-yl)piperidin-4-yl]imidazolidin-2-one;1-[1-(6-chloro-1H-indol-4-yl)piperidin-4-yl]-3-methylimidazolidin-2-one
PubChem CID159918098
Molecular FormulaC69H84Cl4N18O6
Molecular Weight1403.36 g/mol
Exact Mass1400.56
IUPAC NameN-[2-[8-(6-chloro-1H-indazol-4-yl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]ethyl]acetamide;9-(6-chloro-1H-indazol-4-yl)-4-prop-1-en-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane;1-[1-(6-chloro-1H-indol-4-yl)piperidin-4-yl]imidazolidin-2-one;1-[1-(6-chloro-1H-indol-4-yl)piperidin-4-yl]-3-methylimidazolidin-2-one
SMILESC=C(C)N1CCOC2(CCN(c3cc(Cl)cc4[nH]ncc34)CC2)C1.CC(=O)NCCN1C(=O)NC2(CCN(c3cc(Cl)cc4[nH]ncc34)CC2)C1=O.CN1CCN(C2CCN(c3cc(Cl)cc4[nH]ccc34)CC2)C1=O.O=C1NCCN1C1CCN(c2cc(Cl)cc3[nH]ccc23)CC1
InChIInChI=1S/C18H21ClN6O3.C18H23ClN4O.C17H21ClN4O.C16H19ClN4O/c1-11(26)20-4-7-25-16(27)18(22-17(25)28)2-5-24(6-3-18)15-9-12(19)8-14-13(15)10-21-23-14;1-13(2)23-7-8-24-18(12-23)3-5-22(6-4-18)17-10-14(19)9-16-15(17)11-20-21-16;1-20-8-9-22(17(20)23)13-3-6-21(7-4-13)16-11-12(18)10-15-14(16)2-5-19-15;17-11-9-14-13(1-4-18-14)15(10-11)20-6-2-12(3-7-20)21-8-5-19-16(21)22/h8-10H,2-7H2,1H3,(H,20,26)(H,21,23)(H,22,28);9-11H,1,3-8,12H2,2H3,(H,20,21);2,5,10-11,13,19H,3-4,6-9H2,1H3;1,4,9-10,12,18H,2-3,5-8H2,(H,19,22)
InChIKeyNYAWHYCLGWCJKA-UHFFFAOYSA-N
XLogP10.64
TPSA248.77 Ų
H-Bond Donors7
H-Bond Acceptors13
Rotatable Bonds10
Heavy Atoms97
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001403.36
LogP ≤ 510.64
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

Analyze N-[2-[8-(6-chloro-1H-indazol-4-yl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]ethyl]acetamide;9-(6-chloro-1H-indazol-4-yl)-4-prop-1-en-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane;1-[1-(6-chloro-1H-indol-4-yl)piperidin-4-yl]imidazolidin-2-one;1-[1-(6-chloro-1H-indol-4-yl)piperidin-4-yl]-3-methylimidazolidin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-[8-(6-chloro-1H-indazol-4-yl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]ethyl]acetamide;9-(6-chloro-1H-indazol-4-yl)-4-prop-1-en-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane;1-[1-(6-chloro-1H-indol-4-yl)piperidin-4-yl]imidazolidin-2-one;1-[1-(6-chloro-1H-indol-4-yl)piperidin-4-yl]-3-methylimidazolidin-2-one?
The IUPAC name of N-[2-[8-(6-chloro-1H-indazol-4-yl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]ethyl]acetamide;9-(6-chloro-1H-indazol-4-yl)-4-prop-1-en-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane;1-[1-(6-chloro-1H-indol-4-yl)piperidin-4-yl]imidazolidin-2-one;1-[1-(6-chloro-1H-indol-4-yl)piperidin-4-yl]-3-methylimidazolidin-2-one (CID 159918098) is N-[2-[8-(6-chloro-1H-indazol-4-yl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]ethyl]acetamide;9-(6-chloro-1H-indazol-4-yl)-4-prop-1-en-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane;1-[1-(6-chloro-1H-indol-4-yl)piperidin-4-yl]imidazolidin-2-one;1-[1-(6-chloro-1H-indol-4-yl)piperidin-4-yl]-3-methylimidazolidin-2-one.
What is the SMILES notation for N-[2-[8-(6-chloro-1H-indazol-4-yl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]ethyl]acetamide;9-(6-chloro-1H-indazol-4-yl)-4-prop-1-en-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane;1-[1-(6-chloro-1H-indol-4-yl)piperidin-4-yl]imidazolidin-2-one;1-[1-(6-chloro-1H-indol-4-yl)piperidin-4-yl]-3-methylimidazolidin-2-one?
The canonical SMILES for N-[2-[8-(6-chloro-1H-indazol-4-yl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]ethyl]acetamide;9-(6-chloro-1H-indazol-4-yl)-4-prop-1-en-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane;1-[1-(6-chloro-1H-indol-4-yl)piperidin-4-yl]imidazolidin-2-one;1-[1-(6-chloro-1H-indol-4-yl)piperidin-4-yl]-3-methylimidazolidin-2-one is C=C(C)N1CCOC2(CCN(c3cc(Cl)cc4[nH]ncc34)CC2)C1.CC(=O)NCCN1C(=O)NC2(CCN(c3cc(Cl)cc4[nH]ncc34)CC2)C1=O.CN1CCN(C2CCN(c3cc(Cl)cc4[nH]ccc34)CC2)C1=O.O=C1NCCN1C1CCN(c2cc(Cl)cc3[nH]ccc23)CC1.
What is the InChIKey of N-[2-[8-(6-chloro-1H-indazol-4-yl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]ethyl]acetamide;9-(6-chloro-1H-indazol-4-yl)-4-prop-1-en-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane;1-[1-(6-chloro-1H-indol-4-yl)piperidin-4-yl]imidazolidin-2-one;1-[1-(6-chloro-1H-indol-4-yl)piperidin-4-yl]-3-methylimidazolidin-2-one?
The InChIKey is NYAWHYCLGWCJKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN6O3.C18H23ClN4O.C17H21ClN4O.C16H19ClN4O/c1-11(26)20-4-7-25-16(27)18(22-17(25)28)2-5-24(6-3-18)15-9-12(19)8-14-13(15)10-21-23-14;1-13(2)23-7-8-24-18(12-23)3-5-22(6-4-18)17-10-14(19)9-16-15(17)11-20-21-16;1-20-8-9-22(17(20)23)13-3-6-21(7-4-13)16-11-12(18)10-15-14(16)2-5-19-15;17-11-9-14-13(1-4-18-14)15(10-11)20-6-2-12(3-7-20)21-8-5-19-16(21)22/h8-10H,2-7H2,1H3,(H,20,26)(H,21,23)(H,22,28);9-11H,1,3-8,12H2,2H3,(H,20,21);2,5,10-11,13,19H,3-4,6-9H2,1H3;1,4,9-10,12,18H,2-3,5-8H2,(H,19,22).
What are the key properties of N-[2-[8-(6-chloro-1H-indazol-4-yl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]ethyl]acetamide;9-(6-chloro-1H-indazol-4-yl)-4-prop-1-en-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane;1-[1-(6-chloro-1H-indol-4-yl)piperidin-4-yl]imidazolidin-2-one;1-[1-(6-chloro-1H-indol-4-yl)piperidin-4-yl]-3-methylimidazolidin-2-one?
N-[2-[8-(6-chloro-1H-indazol-4-yl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]ethyl]acetamide;9-(6-chloro-1H-indazol-4-yl)-4-prop-1-en-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane;1-[1-(6-chloro-1H-indol-4-yl)piperidin-4-yl]imidazolidin-2-one;1-[1-(6-chloro-1H-indol-4-yl)piperidin-4-yl]-3-methylimidazolidin-2-one has a molecular weight of 1403.36 g/mol, XLogP of 10.64, 10 rotatable bonds, 7 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[8-(6-chloro-1H-indazol-4-yl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]ethyl]acetamide;9-(6-chloro-1H-indazol-4-yl)-4-prop-1-en-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane;1-[1-(6-chloro-1H-indol-4-yl)piperidin-4-yl]imidazolidin-2-one;1-[1-(6-chloro-1H-indol-4-yl)piperidin-4-yl]-3-methylimidazolidin-2-one is sourced from PubChem (CID 159918098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).