N-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-N-methyl-3-[7-oxo-3-(trifluoromethyl)-5,6-dihydro-4H-indazol-1-yl]benzamide

C24H21F3N4O2 — CID 164903158

IUPACN-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-N-methyl-3-[7-oxo-3-(trifluoromethyl)-5,6-dihydro-4H-indazol-1-yl]benzamide
SMILESCN(C(=O)c1cccc(-n2nc(C(F)(F)F)c3c2C(=O)CCC3)c1)c1cnc2c(c1)CCC2
InChIInChI=1S/C24H21F3N4O2/c1-30(17-11-14-5-3-9-19(14)28-13-17)23(33)15-6-2-7-16(12-15)31-21-18(8-4-10-20(21)32)22(29-31)24(25,26)27/h2,6-7,11-13H,3-5,8-10H2,1H3
InChIKeyQTDZWJKAYKOQLM-UHFFFAOYSA-N
MW454.45 g/mol
LogP4.57
Rot. Bonds3

About N-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-N-methyl-3-[7-oxo-3-(trifluoromethyl)-5,6-dihydro-4H-indazol-1-yl]benzamide

N-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-N-methyl-3-[7-oxo-3-(trifluoromethyl)-5,6-dihydro-4H-indazol-1-yl]benzamide (PubChem CID 164903158) has the molecular formula C24H21F3N4O2 and a molecular weight of 454.45 g/mol. Its IUPAC name is N-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-N-methyl-3-[7-oxo-3-(trifluoromethyl)-5,6-dihydro-4H-indazol-1-yl]benzamide.

Molecular Properties

Compound NameN-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-N-methyl-3-[7-oxo-3-(trifluoromethyl)-5,6-dihydro-4H-indazol-1-yl]benzamide
PubChem CID164903158
Molecular FormulaC24H21F3N4O2
Molecular Weight454.45 g/mol
Exact Mass454.16
IUPAC NameN-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-N-methyl-3-[7-oxo-3-(trifluoromethyl)-5,6-dihydro-4H-indazol-1-yl]benzamide
SMILESCN(C(=O)c1cccc(-n2nc(C(F)(F)F)c3c2C(=O)CCC3)c1)c1cnc2c(c1)CCC2
InChIInChI=1S/C24H21F3N4O2/c1-30(17-11-14-5-3-9-19(14)28-13-17)23(33)15-6-2-7-16(12-15)31-21-18(8-4-10-20(21)32)22(29-31)24(25,26)27/h2,6-7,11-13H,3-5,8-10H2,1H3
InChIKeyQTDZWJKAYKOQLM-UHFFFAOYSA-N
XLogP4.57
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.45
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-cyano-3-pyridinyl)-N-methyl-3-[7-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]benzamide
CID 155322767
N-(2-ethyl-4-pyridinyl)-N-methyl-3-[7-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]benzamide
CID 155322741
1-(4-fluoro-3-hydroxyphenyl)-3-(trifluoromethyl)-5,6-dihydro-4H-indazol-7-one
CID 170431788
CID 170619797
CID 170619797
3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(2,3-dihydro-1H-inden-5-yl)-N-methylbenzamide
CID 142429020
N-(1,3-benzodioxol-5-yl)-N-methyl-3-[5-methyl-6-oxo-3-(trifluoromethyl)-4,7-dihydropyrazolo[4,3-c]pyridin-1-yl]benzamide
CID 155051086
3-[6-[4-[[2-[ethyl(methyl)amino]acetyl]-methylamino]phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]benzamide;2,2,2-trifluoroacetic acid
CID 86590502
4-[[(7S)-1-[3-[2,3-dihydro-1-benzofuran-6-yl(methyl)carbamoyl]phenyl]-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-7-yl]oxy]benzoic acid
CID 155322761
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-methyl-3-[7-[(6-methyl-3-pyridinyl)oxy]-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]benzamide
CID 155051146
4-[[4-chloro-2-[3-[(2,2-difluoro-3H-furo[3,2-b]pyridin-6-yl)-methylcarbamoyl]phenyl]-5-(trifluoromethyl)pyrazol-3-yl]methoxy]benzoic acid
CID 146503881
N-(1,3-benzodioxol-5-yl)-3-[4-cyclopropyl-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-methylbenzamide
CID 135330908
N-(1,3-benzodioxol-5-yl)-N-methyl-3-[5-(methylaminomethyl)-3-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]benzamide
CID 155061587

Frequently Asked Questions

What is the IUPAC name of N-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-N-methyl-3-[7-oxo-3-(trifluoromethyl)-5,6-dihydro-4H-indazol-1-yl]benzamide?
The IUPAC name of N-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-N-methyl-3-[7-oxo-3-(trifluoromethyl)-5,6-dihydro-4H-indazol-1-yl]benzamide (CID 164903158) is N-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-N-methyl-3-[7-oxo-3-(trifluoromethyl)-5,6-dihydro-4H-indazol-1-yl]benzamide.
What is the SMILES notation for N-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-N-methyl-3-[7-oxo-3-(trifluoromethyl)-5,6-dihydro-4H-indazol-1-yl]benzamide?
The canonical SMILES for N-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-N-methyl-3-[7-oxo-3-(trifluoromethyl)-5,6-dihydro-4H-indazol-1-yl]benzamide is CN(C(=O)c1cccc(-n2nc(C(F)(F)F)c3c2C(=O)CCC3)c1)c1cnc2c(c1)CCC2.
What is the InChIKey of N-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-N-methyl-3-[7-oxo-3-(trifluoromethyl)-5,6-dihydro-4H-indazol-1-yl]benzamide?
The InChIKey is QTDZWJKAYKOQLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F3N4O2/c1-30(17-11-14-5-3-9-19(14)28-13-17)23(33)15-6-2-7-16(12-15)31-21-18(8-4-10-20(21)32)22(29-31)24(25,26)27/h2,6-7,11-13H,3-5,8-10H2,1H3.
What are the key properties of N-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-N-methyl-3-[7-oxo-3-(trifluoromethyl)-5,6-dihydro-4H-indazol-1-yl]benzamide?
N-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-N-methyl-3-[7-oxo-3-(trifluoromethyl)-5,6-dihydro-4H-indazol-1-yl]benzamide has a molecular weight of 454.45 g/mol, XLogP of 4.57, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-N-methyl-3-[7-oxo-3-(trifluoromethyl)-5,6-dihydro-4H-indazol-1-yl]benzamide is sourced from PubChem (CID 164903158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).