17'-fluoro-2-hydroxy-4',6'-dimethyl-N-[[1-(2-methylpropyl)pyrazol-3-yl]methyl]-4,6-dioxospiro[1,3-diazinane-5,8'-5,15-dioxa-2,14-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),10,12(16),13-tetraene]-13'-carboxamide

C27H32FN7O6 — CID 90717870

IUPAC17'-fluoro-2-hydroxy-4',6'-dimethyl-N-[[1-(2-methylpropyl)pyrazol-3-yl]methyl]-4,6-dioxospiro[1,3-diazinane-5,8'-5,15-dioxa-2,14-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),10,12(16),13-tetraene]-13'-carboxamide
SMILESCC(C)Cn1ccc(CNC(=O)c2noc3c(F)c4c(cc23)CC2(C(=O)NC(O)NC2=O)C2C(C)OC(C)CN42)n1
InChIInChI=1S/C27H32FN7O6/c1-12(2)10-34-6-5-16(32-34)9-29-23(36)19-17-7-15-8-27(24(37)30-26(39)31-25(27)38)22-14(4)40-13(3)11-35(22)20(15)18(28)21(17)41-33-19/h5-7,12-14,22,26,39H,8-11H2,1-4H3,(H,29,36)(H,30,37)(H,31,38)
InChIKeyRTVLINQYFWHZST-UHFFFAOYSA-N
MW569.59 g/mol
LogP0.80
Rot. Bonds5

About 17'-fluoro-2-hydroxy-4',6'-dimethyl-N-[[1-(2-methylpropyl)pyrazol-3-yl]methyl]-4,6-dioxospiro[1,3-diazinane-5,8'-5,15-dioxa-2,14-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),10,12(16),13-tetraene]-13'-carboxamide

17'-fluoro-2-hydroxy-4',6'-dimethyl-N-[[1-(2-methylpropyl)pyrazol-3-yl]methyl]-4,6-dioxospiro[1,3-diazinane-5,8'-5,15-dioxa-2,14-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),10,12(16),13-tetraene]-13'-carboxamide (PubChem CID 90717870) has the molecular formula C27H32FN7O6 and a molecular weight of 569.59 g/mol. Its IUPAC name is 17'-fluoro-2-hydroxy-4',6'-dimethyl-N-[[1-(2-methylpropyl)pyrazol-3-yl]methyl]-4,6-dioxospiro[1,3-diazinane-5,8'-5,15-dioxa-2,14-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),10,12(16),13-tetraene]-13'-carboxamide.

Molecular Properties

Compound Name17'-fluoro-2-hydroxy-4',6'-dimethyl-N-[[1-(2-methylpropyl)pyrazol-3-yl]methyl]-4,6-dioxospiro[1,3-diazinane-5,8'-5,15-dioxa-2,14-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),10,12(16),13-tetraene]-13'-carboxamide
PubChem CID90717870
Molecular FormulaC27H32FN7O6
Molecular Weight569.59 g/mol
Exact Mass569.24
IUPAC Name17'-fluoro-2-hydroxy-4',6'-dimethyl-N-[[1-(2-methylpropyl)pyrazol-3-yl]methyl]-4,6-dioxospiro[1,3-diazinane-5,8'-5,15-dioxa-2,14-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),10,12(16),13-tetraene]-13'-carboxamide
SMILESCC(C)Cn1ccc(CNC(=O)c2noc3c(F)c4c(cc23)CC2(C(=O)NC(O)NC2=O)C2C(C)OC(C)CN42)n1
InChIInChI=1S/C27H32FN7O6/c1-12(2)10-34-6-5-16(32-34)9-29-23(36)19-17-7-15-8-27(24(37)30-26(39)31-25(27)38)22-14(4)40-13(3)11-35(22)20(15)18(28)21(17)41-33-19/h5-7,12-14,22,26,39H,8-11H2,1-4H3,(H,29,36)(H,30,37)(H,31,38)
InChIKeyRTVLINQYFWHZST-UHFFFAOYSA-N
XLogP0.80
TPSA163.85 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500569.59
LogP ≤ 50.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 17'-fluoro-2-hydroxy-4',6'-dimethyl-N-[[1-(2-methylpropyl)pyrazol-3-yl]methyl]-4,6-dioxospiro[1,3-diazinane-5,8'-5,15-dioxa-2,14-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),10,12(16),13-tetraene]-13'-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 17'-fluoro-2-hydroxy-4',6'-dimethyl-N-[[1-(2-methylpropyl)pyrazol-3-yl]methyl]-4,6-dioxospiro[1,3-diazinane-5,8'-5,15-dioxa-2,14-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),10,12(16),13-tetraene]-13'-carboxamide?
The IUPAC name of 17'-fluoro-2-hydroxy-4',6'-dimethyl-N-[[1-(2-methylpropyl)pyrazol-3-yl]methyl]-4,6-dioxospiro[1,3-diazinane-5,8'-5,15-dioxa-2,14-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),10,12(16),13-tetraene]-13'-carboxamide (CID 90717870) is 17'-fluoro-2-hydroxy-4',6'-dimethyl-N-[[1-(2-methylpropyl)pyrazol-3-yl]methyl]-4,6-dioxospiro[1,3-diazinane-5,8'-5,15-dioxa-2,14-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),10,12(16),13-tetraene]-13'-carboxamide.
What is the SMILES notation for 17'-fluoro-2-hydroxy-4',6'-dimethyl-N-[[1-(2-methylpropyl)pyrazol-3-yl]methyl]-4,6-dioxospiro[1,3-diazinane-5,8'-5,15-dioxa-2,14-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),10,12(16),13-tetraene]-13'-carboxamide?
The canonical SMILES for 17'-fluoro-2-hydroxy-4',6'-dimethyl-N-[[1-(2-methylpropyl)pyrazol-3-yl]methyl]-4,6-dioxospiro[1,3-diazinane-5,8'-5,15-dioxa-2,14-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),10,12(16),13-tetraene]-13'-carboxamide is CC(C)Cn1ccc(CNC(=O)c2noc3c(F)c4c(cc23)CC2(C(=O)NC(O)NC2=O)C2C(C)OC(C)CN42)n1.
What is the InChIKey of 17'-fluoro-2-hydroxy-4',6'-dimethyl-N-[[1-(2-methylpropyl)pyrazol-3-yl]methyl]-4,6-dioxospiro[1,3-diazinane-5,8'-5,15-dioxa-2,14-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),10,12(16),13-tetraene]-13'-carboxamide?
The InChIKey is RTVLINQYFWHZST-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32FN7O6/c1-12(2)10-34-6-5-16(32-34)9-29-23(36)19-17-7-15-8-27(24(37)30-26(39)31-25(27)38)22-14(4)40-13(3)11-35(22)20(15)18(28)21(17)41-33-19/h5-7,12-14,22,26,39H,8-11H2,1-4H3,(H,29,36)(H,30,37)(H,31,38).
What are the key properties of 17'-fluoro-2-hydroxy-4',6'-dimethyl-N-[[1-(2-methylpropyl)pyrazol-3-yl]methyl]-4,6-dioxospiro[1,3-diazinane-5,8'-5,15-dioxa-2,14-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),10,12(16),13-tetraene]-13'-carboxamide?
17'-fluoro-2-hydroxy-4',6'-dimethyl-N-[[1-(2-methylpropyl)pyrazol-3-yl]methyl]-4,6-dioxospiro[1,3-diazinane-5,8'-5,15-dioxa-2,14-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),10,12(16),13-tetraene]-13'-carboxamide has a molecular weight of 569.59 g/mol, XLogP of 0.80, 5 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 17'-fluoro-2-hydroxy-4',6'-dimethyl-N-[[1-(2-methylpropyl)pyrazol-3-yl]methyl]-4,6-dioxospiro[1,3-diazinane-5,8'-5,15-dioxa-2,14-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),10,12(16),13-tetraene]-13'-carboxamide is sourced from PubChem (CID 90717870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).