8-fluoro-11-[(6-fluoro-1H-indazol-5-yl)methyl]-4,14-dioxa-11,16-diazapentacyclo[10.8.0.02,10.03,7.015,20]icosa-1(12),2,5,9,15(20),16,18-heptaen-13-one

C24H14F2N4O3 — CID 71025252

IUPAC8-fluoro-11-[(6-fluoro-1H-indazol-5-yl)methyl]-4,14-dioxa-11,16-diazapentacyclo[10.8.0.02,10.03,7.015,20]icosa-1(12),2,5,9,15(20),16,18-heptaen-13-one
SMILESO=c1oc2ncccc2c2c3c(n(Cc4cc5cn[nH]c5cc4F)c12)=CC(F)C1C=COC=31
InChIInChI=1S/C24H14F2N4O3/c25-15-7-17-11(9-28-29-17)6-12(15)10-30-18-8-16(26)13-3-5-32-22(13)20(18)19-14-2-1-4-27-23(14)33-24(31)21(19)30/h1-9,13,16H,10H2,(H,28,29)
InChIKeyDDNWAAJZXWEWNU-UHFFFAOYSA-N
MW444.40 g/mol
LogP2.61
Rot. Bonds2

About 8-fluoro-11-[(6-fluoro-1H-indazol-5-yl)methyl]-4,14-dioxa-11,16-diazapentacyclo[10.8.0.02,10.03,7.015,20]icosa-1(12),2,5,9,15(20),16,18-heptaen-13-one

8-fluoro-11-[(6-fluoro-1H-indazol-5-yl)methyl]-4,14-dioxa-11,16-diazapentacyclo[10.8.0.02,10.03,7.015,20]icosa-1(12),2,5,9,15(20),16,18-heptaen-13-one (PubChem CID 71025252) has the molecular formula C24H14F2N4O3 and a molecular weight of 444.40 g/mol. Its IUPAC name is 8-fluoro-11-[(6-fluoro-1H-indazol-5-yl)methyl]-4,14-dioxa-11,16-diazapentacyclo[10.8.0.02,10.03,7.015,20]icosa-1(12),2,5,9,15(20),16,18-heptaen-13-one.

Molecular Properties

Compound Name8-fluoro-11-[(6-fluoro-1H-indazol-5-yl)methyl]-4,14-dioxa-11,16-diazapentacyclo[10.8.0.02,10.03,7.015,20]icosa-1(12),2,5,9,15(20),16,18-heptaen-13-one
PubChem CID71025252
Molecular FormulaC24H14F2N4O3
Molecular Weight444.40 g/mol
Exact Mass444.10
IUPAC Name8-fluoro-11-[(6-fluoro-1H-indazol-5-yl)methyl]-4,14-dioxa-11,16-diazapentacyclo[10.8.0.02,10.03,7.015,20]icosa-1(12),2,5,9,15(20),16,18-heptaen-13-one
SMILESO=c1oc2ncccc2c2c3c(n(Cc4cc5cn[nH]c5cc4F)c12)=CC(F)C1C=COC=31
InChIInChI=1S/C24H14F2N4O3/c25-15-7-17-11(9-28-29-17)6-12(15)10-30-18-8-16(26)13-3-5-32-22(13)20(18)19-14-2-1-4-27-23(14)33-24(31)21(19)30/h1-9,13,16H,10H2,(H,28,29)
InChIKeyDDNWAAJZXWEWNU-UHFFFAOYSA-N
XLogP2.61
TPSA85.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.40
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 8-fluoro-11-[(6-fluoro-1H-indazol-5-yl)methyl]-4,14-dioxa-11,16-diazapentacyclo[10.8.0.02,10.03,7.015,20]icosa-1(12),2,5,9,15(20),16,18-heptaen-13-one with MolForge

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Related Compounds

H3B-6545
CID 124091099
5-[(3,5-difluorophenoxy)methyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole
CID 162643463
(E)-N,N-dimethyl-4-[2-[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]pyridin-2-yl]oxyethylamino]but-2-enamide
CID 124091040
3-isocyano-2-methyl-4-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazol-5-yl]-4,7-dihydro-3H-furo[3,4-b]pyridin-5-one
CID 91899752
US11365192, Example 16-1
CID 142526512
N,N-dimethyl-4-[2-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]ethylamino]but-2-enamide
CID 173660240
3-[4-[1-(4-fluoro-1H-indazol-5-yl)-2-(4-pyridin-2-yloxyphenyl)but-1-enyl]phenyl]prop-2-enoic acid
CID 66800003
(E)-3-[4-[(E)-1-(4-fluoro-1H-indazol-5-yl)-2-(3-pyridin-2-yloxyphenyl)but-1-enyl]phenyl]prop-2-enoic acid
CID 66806644
(E)-3-[4-[(E)-1-(4-fluoro-1H-indazol-5-yl)-2-(4-pyridin-2-yloxyphenyl)but-1-enyl]phenyl]prop-2-enoic acid
CID 69281212
(E)-3-[4-[(E)-2-cyclobutyl-2-(6-ethoxy-4-methyl-3-pyridinyl)-1-(3-fluoro-2H-indazol-5-yl)ethenyl]phenyl]prop-2-enoic acid
CID 71745166
(E)-3-[4-[(E)-2-cyclopropyl-2-(6-ethoxy-4-methyl-3-pyridinyl)-1-(3-fluoro-2H-indazol-5-yl)ethenyl]phenyl]prop-2-enoic acid
CID 71745358
(E)-4-[2-[[5-[(Z)-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]ethylamino]-N,N-dimethylbut-2-enamide
CID 124090812

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-11-[(6-fluoro-1H-indazol-5-yl)methyl]-4,14-dioxa-11,16-diazapentacyclo[10.8.0.02,10.03,7.015,20]icosa-1(12),2,5,9,15(20),16,18-heptaen-13-one?
The IUPAC name of 8-fluoro-11-[(6-fluoro-1H-indazol-5-yl)methyl]-4,14-dioxa-11,16-diazapentacyclo[10.8.0.02,10.03,7.015,20]icosa-1(12),2,5,9,15(20),16,18-heptaen-13-one (CID 71025252) is 8-fluoro-11-[(6-fluoro-1H-indazol-5-yl)methyl]-4,14-dioxa-11,16-diazapentacyclo[10.8.0.02,10.03,7.015,20]icosa-1(12),2,5,9,15(20),16,18-heptaen-13-one.
What is the SMILES notation for 8-fluoro-11-[(6-fluoro-1H-indazol-5-yl)methyl]-4,14-dioxa-11,16-diazapentacyclo[10.8.0.02,10.03,7.015,20]icosa-1(12),2,5,9,15(20),16,18-heptaen-13-one?
The canonical SMILES for 8-fluoro-11-[(6-fluoro-1H-indazol-5-yl)methyl]-4,14-dioxa-11,16-diazapentacyclo[10.8.0.02,10.03,7.015,20]icosa-1(12),2,5,9,15(20),16,18-heptaen-13-one is O=c1oc2ncccc2c2c3c(n(Cc4cc5cn[nH]c5cc4F)c12)=CC(F)C1C=COC=31.
What is the InChIKey of 8-fluoro-11-[(6-fluoro-1H-indazol-5-yl)methyl]-4,14-dioxa-11,16-diazapentacyclo[10.8.0.02,10.03,7.015,20]icosa-1(12),2,5,9,15(20),16,18-heptaen-13-one?
The InChIKey is DDNWAAJZXWEWNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14F2N4O3/c25-15-7-17-11(9-28-29-17)6-12(15)10-30-18-8-16(26)13-3-5-32-22(13)20(18)19-14-2-1-4-27-23(14)33-24(31)21(19)30/h1-9,13,16H,10H2,(H,28,29).
What are the key properties of 8-fluoro-11-[(6-fluoro-1H-indazol-5-yl)methyl]-4,14-dioxa-11,16-diazapentacyclo[10.8.0.02,10.03,7.015,20]icosa-1(12),2,5,9,15(20),16,18-heptaen-13-one?
8-fluoro-11-[(6-fluoro-1H-indazol-5-yl)methyl]-4,14-dioxa-11,16-diazapentacyclo[10.8.0.02,10.03,7.015,20]icosa-1(12),2,5,9,15(20),16,18-heptaen-13-one has a molecular weight of 444.40 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-11-[(6-fluoro-1H-indazol-5-yl)methyl]-4,14-dioxa-11,16-diazapentacyclo[10.8.0.02,10.03,7.015,20]icosa-1(12),2,5,9,15(20),16,18-heptaen-13-one is sourced from PubChem (CID 71025252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).