15-(1-ethyl-4-fluoroindazol-6-yl)-9-[4-fluoro-6-[5-(3-methyl-2-oxopiperidin-3-yl)-6-oxo-1H-pyridin-2-yl]indazol-1-yl]-2,10-dimethyl-12-oxa-4,14-diazatricyclo[11.4.0.02,7]heptadeca-1(13),10,14,16-tetraen-3-one

C43H42F2N8O4 — CID 123678887

IUPAC15-(1-ethyl-4-fluoroindazol-6-yl)-9-[4-fluoro-6-[5-(3-methyl-2-oxopiperidin-3-yl)-6-oxo-1H-pyridin-2-yl]indazol-1-yl]-2,10-dimethyl-12-oxa-4,14-diazatricyclo[11.4.0.02,7]heptadeca-1(13),10,14,16-tetraen-3-one
SMILESCCn1ncc2c(F)cc(-c3ccc4c(n3)OC=C(C)C(n3ncc5c(F)cc(-c6ccc(C7(C)CCCNC7=O)c(=O)[nH]6)cc53)CC3CCNC(=O)C43C)cc21
InChIInChI=1S/C43H42F2N8O4/c1-5-52-36-17-24(15-31(44)27(36)20-48-52)34-10-8-30-39(51-34)57-22-23(2)35(19-26-11-14-47-41(56)43(26,30)4)53-37-18-25(16-32(45)28(37)21-49-53)33-9-7-29(38(54)50-33)42(3)12-6-13-46-40(42)55/h7-10,15-18,20-22,26,35H,5-6,11-14,19H2,1-4H3,(H,46,55)(H,47,56)(H,50,54)
InChIKeyBWXPZKQCECEADT-UHFFFAOYSA-N
MW772.86 g/mol
LogP6.59
Rot. Bonds5

About 15-(1-ethyl-4-fluoroindazol-6-yl)-9-[4-fluoro-6-[5-(3-methyl-2-oxopiperidin-3-yl)-6-oxo-1H-pyridin-2-yl]indazol-1-yl]-2,10-dimethyl-12-oxa-4,14-diazatricyclo[11.4.0.02,7]heptadeca-1(13),10,14,16-tetraen-3-one

15-(1-ethyl-4-fluoroindazol-6-yl)-9-[4-fluoro-6-[5-(3-methyl-2-oxopiperidin-3-yl)-6-oxo-1H-pyridin-2-yl]indazol-1-yl]-2,10-dimethyl-12-oxa-4,14-diazatricyclo[11.4.0.02,7]heptadeca-1(13),10,14,16-tetraen-3-one (PubChem CID 123678887) has the molecular formula C43H42F2N8O4 and a molecular weight of 772.86 g/mol. Its IUPAC name is 15-(1-ethyl-4-fluoroindazol-6-yl)-9-[4-fluoro-6-[5-(3-methyl-2-oxopiperidin-3-yl)-6-oxo-1H-pyridin-2-yl]indazol-1-yl]-2,10-dimethyl-12-oxa-4,14-diazatricyclo[11.4.0.02,7]heptadeca-1(13),10,14,16-tetraen-3-one.

Molecular Properties

Compound Name15-(1-ethyl-4-fluoroindazol-6-yl)-9-[4-fluoro-6-[5-(3-methyl-2-oxopiperidin-3-yl)-6-oxo-1H-pyridin-2-yl]indazol-1-yl]-2,10-dimethyl-12-oxa-4,14-diazatricyclo[11.4.0.02,7]heptadeca-1(13),10,14,16-tetraen-3-one
PubChem CID123678887
Molecular FormulaC43H42F2N8O4
Molecular Weight772.86 g/mol
Exact Mass772.33
IUPAC Name15-(1-ethyl-4-fluoroindazol-6-yl)-9-[4-fluoro-6-[5-(3-methyl-2-oxopiperidin-3-yl)-6-oxo-1H-pyridin-2-yl]indazol-1-yl]-2,10-dimethyl-12-oxa-4,14-diazatricyclo[11.4.0.02,7]heptadeca-1(13),10,14,16-tetraen-3-one
SMILESCCn1ncc2c(F)cc(-c3ccc4c(n3)OC=C(C)C(n3ncc5c(F)cc(-c6ccc(C7(C)CCCNC7=O)c(=O)[nH]6)cc53)CC3CCNC(=O)C43C)cc21
InChIInChI=1S/C43H42F2N8O4/c1-5-52-36-17-24(15-31(44)27(36)20-48-52)34-10-8-30-39(51-34)57-22-23(2)35(19-26-11-14-47-41(56)43(26,30)4)53-37-18-25(16-32(45)28(37)21-49-53)33-9-7-29(38(54)50-33)42(3)12-6-13-46-40(42)55/h7-10,15-18,20-22,26,35H,5-6,11-14,19H2,1-4H3,(H,46,55)(H,47,56)(H,50,54)
InChIKeyBWXPZKQCECEADT-UHFFFAOYSA-N
XLogP6.59
TPSA148.82 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500772.86
LogP ≤ 56.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 15-(1-ethyl-4-fluoroindazol-6-yl)-9-[4-fluoro-6-[5-(3-methyl-2-oxopiperidin-3-yl)-6-oxo-1H-pyridin-2-yl]indazol-1-yl]-2,10-dimethyl-12-oxa-4,14-diazatricyclo[11.4.0.02,7]heptadeca-1(13),10,14,16-tetraen-3-one with MolForge

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Related Compounds

1'-(2-Methoxyquinoline-7-carbonyl)-1-propan-2-ylspiro[4,6-dihydropyrazolo[5,4-c]pyridine-5,4'-piperidine]-7-one
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US12473304, Example 215
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US12473304, Example 223
CID 156829147
US12473304, Example 221
CID 156829193
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CID 156829247
US12473304, Example 214
CID 156829481
US12473304, Example 225
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US12473304, Example 212
CID 156829955
2-[[1-[4-(6-methoxypyridin-3-yl)benzoyl]piperidin-4-yl]methyl]-4-methyl-N-(2,2,2-trifluoroethyl)indazole-5-carboxamide
CID 71582604
(S)-2-(3-(difluoromethyl)-4,4,7,7-tetrafluoro-4,5,6,7-tetrahydro-1H-indazol-1-yl)-N-(2-(3,5-difluorophenyl)-1-(2'-methoxy-5-(3-oxoisoindolin-5-yl)-[2,4'-bipyridin]-6-yl)ethyl)acetamide
CID 78320440
2-[[1-[4-(6-methoxypyridin-2-yl)benzoyl]piperidin-4-yl]methyl]-4-methyl-N-(2,2,2-trifluoroethyl)indazole-5-carboxamide
CID 89601656
(3R)-3-[6-(1-Ethyl-4-fluoro-1H-indazol-6-yl)-2-methoxypyridin-3-yl]-3-methylpiperidin-2-one
CID 117993030

Frequently Asked Questions

What is the IUPAC name of 15-(1-ethyl-4-fluoroindazol-6-yl)-9-[4-fluoro-6-[5-(3-methyl-2-oxopiperidin-3-yl)-6-oxo-1H-pyridin-2-yl]indazol-1-yl]-2,10-dimethyl-12-oxa-4,14-diazatricyclo[11.4.0.02,7]heptadeca-1(13),10,14,16-tetraen-3-one?
The IUPAC name of 15-(1-ethyl-4-fluoroindazol-6-yl)-9-[4-fluoro-6-[5-(3-methyl-2-oxopiperidin-3-yl)-6-oxo-1H-pyridin-2-yl]indazol-1-yl]-2,10-dimethyl-12-oxa-4,14-diazatricyclo[11.4.0.02,7]heptadeca-1(13),10,14,16-tetraen-3-one (CID 123678887) is 15-(1-ethyl-4-fluoroindazol-6-yl)-9-[4-fluoro-6-[5-(3-methyl-2-oxopiperidin-3-yl)-6-oxo-1H-pyridin-2-yl]indazol-1-yl]-2,10-dimethyl-12-oxa-4,14-diazatricyclo[11.4.0.02,7]heptadeca-1(13),10,14,16-tetraen-3-one.
What is the SMILES notation for 15-(1-ethyl-4-fluoroindazol-6-yl)-9-[4-fluoro-6-[5-(3-methyl-2-oxopiperidin-3-yl)-6-oxo-1H-pyridin-2-yl]indazol-1-yl]-2,10-dimethyl-12-oxa-4,14-diazatricyclo[11.4.0.02,7]heptadeca-1(13),10,14,16-tetraen-3-one?
The canonical SMILES for 15-(1-ethyl-4-fluoroindazol-6-yl)-9-[4-fluoro-6-[5-(3-methyl-2-oxopiperidin-3-yl)-6-oxo-1H-pyridin-2-yl]indazol-1-yl]-2,10-dimethyl-12-oxa-4,14-diazatricyclo[11.4.0.02,7]heptadeca-1(13),10,14,16-tetraen-3-one is CCn1ncc2c(F)cc(-c3ccc4c(n3)OC=C(C)C(n3ncc5c(F)cc(-c6ccc(C7(C)CCCNC7=O)c(=O)[nH]6)cc53)CC3CCNC(=O)C43C)cc21.
What is the InChIKey of 15-(1-ethyl-4-fluoroindazol-6-yl)-9-[4-fluoro-6-[5-(3-methyl-2-oxopiperidin-3-yl)-6-oxo-1H-pyridin-2-yl]indazol-1-yl]-2,10-dimethyl-12-oxa-4,14-diazatricyclo[11.4.0.02,7]heptadeca-1(13),10,14,16-tetraen-3-one?
The InChIKey is BWXPZKQCECEADT-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H42F2N8O4/c1-5-52-36-17-24(15-31(44)27(36)20-48-52)34-10-8-30-39(51-34)57-22-23(2)35(19-26-11-14-47-41(56)43(26,30)4)53-37-18-25(16-32(45)28(37)21-49-53)33-9-7-29(38(54)50-33)42(3)12-6-13-46-40(42)55/h7-10,15-18,20-22,26,35H,5-6,11-14,19H2,1-4H3,(H,46,55)(H,47,56)(H,50,54).
What are the key properties of 15-(1-ethyl-4-fluoroindazol-6-yl)-9-[4-fluoro-6-[5-(3-methyl-2-oxopiperidin-3-yl)-6-oxo-1H-pyridin-2-yl]indazol-1-yl]-2,10-dimethyl-12-oxa-4,14-diazatricyclo[11.4.0.02,7]heptadeca-1(13),10,14,16-tetraen-3-one?
15-(1-ethyl-4-fluoroindazol-6-yl)-9-[4-fluoro-6-[5-(3-methyl-2-oxopiperidin-3-yl)-6-oxo-1H-pyridin-2-yl]indazol-1-yl]-2,10-dimethyl-12-oxa-4,14-diazatricyclo[11.4.0.02,7]heptadeca-1(13),10,14,16-tetraen-3-one has a molecular weight of 772.86 g/mol, XLogP of 6.59, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 15-(1-ethyl-4-fluoroindazol-6-yl)-9-[4-fluoro-6-[5-(3-methyl-2-oxopiperidin-3-yl)-6-oxo-1H-pyridin-2-yl]indazol-1-yl]-2,10-dimethyl-12-oxa-4,14-diazatricyclo[11.4.0.02,7]heptadeca-1(13),10,14,16-tetraen-3-one is sourced from PubChem (CID 123678887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).