(2R,10E)-15-(1-ethyl-4-fluoroindazol-6-yl)-9-[4-fluoro-6-[5-[(3R)-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 134322150

IUPAC(2R,10E)-15-(1-ethyl-4-fluoroindazol-6-yl)-9-[4-fluoro-6-[5-[(3R)-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)O/C=C(\C)C(n3ncc5c(F)cc(-c6ccc([C@@]7(C)CCCNC7=O)c(=O)[nH]6)cc53)CC3CCNC(=O)[C@@]43C)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)/b23-22+/t26?,35?,42-,43-/m1/s1
InChIKeyBWXPZKQCECEADT-AVAOUQQCSA-N
MW772.86 g/mol
LogP6.59
Rot. Bonds5

About (2R,10E)-15-(1-ethyl-4-fluoroindazol-6-yl)-9-[4-fluoro-6-[5-[(3R)-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

(2R,10E)-15-(1-ethyl-4-fluoroindazol-6-yl)-9-[4-fluoro-6-[5-[(3R)-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 134322150) has the molecular formula C43H42F2N8O4 and a molecular weight of 772.86 g/mol. Its IUPAC name is (2R,10E)-15-(1-ethyl-4-fluoroindazol-6-yl)-9-[4-fluoro-6-[5-[(3R)-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 Name(2R,10E)-15-(1-ethyl-4-fluoroindazol-6-yl)-9-[4-fluoro-6-[5-[(3R)-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 CID134322150
Molecular FormulaC43H42F2N8O4
Molecular Weight772.86 g/mol
Exact Mass772.33
IUPAC Name(2R,10E)-15-(1-ethyl-4-fluoroindazol-6-yl)-9-[4-fluoro-6-[5-[(3R)-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)O/C=C(\C)C(n3ncc5c(F)cc(-c6ccc([C@@]7(C)CCCNC7=O)c(=O)[nH]6)cc53)CC3CCNC(=O)[C@@]43C)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)/b23-22+/t26?,35?,42-,43-/m1/s1
InChIKeyBWXPZKQCECEADT-AVAOUQQCSA-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 (2R,10E)-15-(1-ethyl-4-fluoroindazol-6-yl)-9-[4-fluoro-6-[5-[(3R)-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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Frequently Asked Questions

What is the IUPAC name of (2R,10E)-15-(1-ethyl-4-fluoroindazol-6-yl)-9-[4-fluoro-6-[5-[(3R)-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 (2R,10E)-15-(1-ethyl-4-fluoroindazol-6-yl)-9-[4-fluoro-6-[5-[(3R)-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 134322150) is (2R,10E)-15-(1-ethyl-4-fluoroindazol-6-yl)-9-[4-fluoro-6-[5-[(3R)-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 (2R,10E)-15-(1-ethyl-4-fluoroindazol-6-yl)-9-[4-fluoro-6-[5-[(3R)-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 (2R,10E)-15-(1-ethyl-4-fluoroindazol-6-yl)-9-[4-fluoro-6-[5-[(3R)-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)O/C=C(\C)C(n3ncc5c(F)cc(-c6ccc([C@@]7(C)CCCNC7=O)c(=O)[nH]6)cc53)CC3CCNC(=O)[C@@]43C)cc21.
What is the InChIKey of (2R,10E)-15-(1-ethyl-4-fluoroindazol-6-yl)-9-[4-fluoro-6-[5-[(3R)-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-AVAOUQQCSA-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)/b23-22+/t26?,35?,42-,43-/m1/s1.
What are the key properties of (2R,10E)-15-(1-ethyl-4-fluoroindazol-6-yl)-9-[4-fluoro-6-[5-[(3R)-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?
(2R,10E)-15-(1-ethyl-4-fluoroindazol-6-yl)-9-[4-fluoro-6-[5-[(3R)-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 (2R,10E)-15-(1-ethyl-4-fluoroindazol-6-yl)-9-[4-fluoro-6-[5-[(3R)-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 134322150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).