N-(2,6-difluorophenyl)-13-pyridin-2-yl-3-thia-5-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaene-4-carboxamide

C24H17F2N3OS — CID 59737959

IUPACN-(2,6-difluorophenyl)-13-pyridin-2-yl-3-thia-5-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaene-4-carboxamide
SMILESO=C(Nc1c(F)cccc1F)c1nc2c(s1)-c1cc(-c3ccccn3)ccc1CCC2
InChIInChI=1S/C24H17F2N3OS/c25-17-6-4-7-18(26)21(17)29-23(30)24-28-20-9-3-5-14-10-11-15(13-16(14)22(20)31-24)19-8-1-2-12-27-19/h1-2,4,6-8,10-13H,3,5,9H2,(H,29,30)
InChIKeyZBQDDQWDCWWJRG-UHFFFAOYSA-N
MW433.48 g/mol
LogP5.89
Rot. Bonds3

About N-(2,6-difluorophenyl)-13-pyridin-2-yl-3-thia-5-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaene-4-carboxamide

N-(2,6-difluorophenyl)-13-pyridin-2-yl-3-thia-5-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaene-4-carboxamide (PubChem CID 59737959) has the molecular formula C24H17F2N3OS and a molecular weight of 433.48 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)-13-pyridin-2-yl-3-thia-5-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaene-4-carboxamide.

Molecular Properties

Compound NameN-(2,6-difluorophenyl)-13-pyridin-2-yl-3-thia-5-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaene-4-carboxamide
PubChem CID59737959
Molecular FormulaC24H17F2N3OS
Molecular Weight433.48 g/mol
Exact Mass433.11
IUPAC NameN-(2,6-difluorophenyl)-13-pyridin-2-yl-3-thia-5-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaene-4-carboxamide
SMILESO=C(Nc1c(F)cccc1F)c1nc2c(s1)-c1cc(-c3ccccn3)ccc1CCC2
InChIInChI=1S/C24H17F2N3OS/c25-17-6-4-7-18(26)21(17)29-23(30)24-28-20-9-3-5-14-10-11-15(13-16(14)22(20)31-24)19-8-1-2-12-27-19/h1-2,4,6-8,10-13H,3,5,9H2,(H,29,30)
InChIKeyZBQDDQWDCWWJRG-UHFFFAOYSA-N
XLogP5.89
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.48
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,6-difluorophenyl)-3-thia-5-azatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaene-4-carboxamide
CID 59737931
[4-[(2,6-difluorophenyl)carbamoyl]-3-thia-5-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaen-13-yl] trifluoromethanesulfonate
CID 59737873
N-(2,6-difluorophenyl)-13-[(3E,5E)-6-fluorohepta-1,3,5-trien-4-yl]-3-thia-5-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaene-4-carboxamide
CID 89278584
N-(2,6-difluorophenyl)-9-methoxy-4,5-dihydro-[1]benzoxepino[4,5-d][1,3]thiazole-2-carboxamide
CID 59737950
(2E)-2-(7-pyridin-2-yl-3,4-dihydro-2H-naphthalen-1-ylidene)acetic acid
CID 82544245
N-(2,6-difluorophenyl)formamide;13-(1H-imidazol-5-yl)-4-methyl-3-thia-5-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaene
CID 143833249
2,6-difluoro-N-(12-iodo-3-thia-5-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaen-4-yl)benzamide;2,6-difluoro-N-(3-thia-5-azatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaen-4-yl)benzamide
CID 161119929
2,6-difluoro-N-(3-thia-5-azatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaen-4-yl)benzamide;3-thia-5-azatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaen-4-amine
CID 157144493
2,6-difluoro-N-(14-pyridin-3-yl-3,6-diazatricyclo[9.4.0.02,7]pentadeca-1(11),2,4,6,12,14-hexaen-5-yl)benzamide
CID 59738062
N-[5-(2-fluorophenyl)-1H-1,2,4-triazol-3-yl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 167966566
3-pyridin-2-yl-5,6,7,8-tetrahydroquinoline
CID 10536433
3-pyridin-2-ylbenzoate
CID 7020368

Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluorophenyl)-13-pyridin-2-yl-3-thia-5-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaene-4-carboxamide?
The IUPAC name of N-(2,6-difluorophenyl)-13-pyridin-2-yl-3-thia-5-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaene-4-carboxamide (CID 59737959) is N-(2,6-difluorophenyl)-13-pyridin-2-yl-3-thia-5-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaene-4-carboxamide.
What is the SMILES notation for N-(2,6-difluorophenyl)-13-pyridin-2-yl-3-thia-5-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaene-4-carboxamide?
The canonical SMILES for N-(2,6-difluorophenyl)-13-pyridin-2-yl-3-thia-5-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaene-4-carboxamide is O=C(Nc1c(F)cccc1F)c1nc2c(s1)-c1cc(-c3ccccn3)ccc1CCC2.
What is the InChIKey of N-(2,6-difluorophenyl)-13-pyridin-2-yl-3-thia-5-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaene-4-carboxamide?
The InChIKey is ZBQDDQWDCWWJRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17F2N3OS/c25-17-6-4-7-18(26)21(17)29-23(30)24-28-20-9-3-5-14-10-11-15(13-16(14)22(20)31-24)19-8-1-2-12-27-19/h1-2,4,6-8,10-13H,3,5,9H2,(H,29,30).
What are the key properties of N-(2,6-difluorophenyl)-13-pyridin-2-yl-3-thia-5-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaene-4-carboxamide?
N-(2,6-difluorophenyl)-13-pyridin-2-yl-3-thia-5-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaene-4-carboxamide has a molecular weight of 433.48 g/mol, XLogP of 5.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluorophenyl)-13-pyridin-2-yl-3-thia-5-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaene-4-carboxamide is sourced from PubChem (CID 59737959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).