N-cyclopropyl-4-fluoro-3-[methyl-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)amino]benzamide

C24H21FN4O — CID 67263241

IUPACN-cyclopropyl-4-fluoro-3-[methyl-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)amino]benzamide
SMILESCN(c1cnc2[nH]c(-c3ccccc3)cc2c1)c1cc(C(=O)NC2CC2)ccc1F
InChIInChI=1S/C24H21FN4O/c1-29(22-13-16(7-10-20(22)25)24(30)27-18-8-9-18)19-11-17-12-21(28-23(17)26-14-19)15-5-3-2-4-6-15/h2-7,10-14,18H,8-9H2,1H3,(H,26,28)(H,27,30)
InChIKeyYSWSGZHGPXSOCY-UHFFFAOYSA-N
MW400.46 g/mol
LogP5.03
Rot. Bonds5

About N-cyclopropyl-4-fluoro-3-[methyl-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)amino]benzamide

N-cyclopropyl-4-fluoro-3-[methyl-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)amino]benzamide (PubChem CID 67263241) has the molecular formula C24H21FN4O and a molecular weight of 400.46 g/mol. Its IUPAC name is N-cyclopropyl-4-fluoro-3-[methyl-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)amino]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-fluoro-3-[methyl-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)amino]benzamide
PubChem CID67263241
Molecular FormulaC24H21FN4O
Molecular Weight400.46 g/mol
Exact Mass400.17
IUPAC NameN-cyclopropyl-4-fluoro-3-[methyl-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)amino]benzamide
SMILESCN(c1cnc2[nH]c(-c3ccccc3)cc2c1)c1cc(C(=O)NC2CC2)ccc1F
InChIInChI=1S/C24H21FN4O/c1-29(22-13-16(7-10-20(22)25)24(30)27-18-8-9-18)19-11-17-12-21(28-23(17)26-14-19)15-5-3-2-4-6-15/h2-7,10-14,18H,8-9H2,1H3,(H,26,28)(H,27,30)
InChIKeyYSWSGZHGPXSOCY-UHFFFAOYSA-N
XLogP5.03
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.46
LogP ≤ 55.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-4-fluoro-3-[methyl-(2-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)amino]benzamide
CID 66829942
N-cyclopropyl-4-fluoro-3-[(2-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)methylamino]benzamide
CID 24955947
6-[3-(cyclopropylcarbamoyl)phenyl]pyridine-3-carboxylic acid
CID 53224277
3-fluoro-4-methyl-N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-4-yl]benzamide
CID 75528488
N-[4-(dimethylcarbamoylamino)cyclohexyl]-6-(3-fluorophenyl)pyridine-3-carboxamide
CID 59401474
3-(dimethylamino)-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]benzamide
CID 90634321
N-cyclopentyl-4-fluoro-3-methoxybenzamide
CID 80948074
N-(4-chlorocyclohexyl)-4-fluoro-3-methoxybenzamide
CID 113271600
3-fluoro-4-methyl-N-[(3S)-1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]benzamide
CID 99740769
N-[4-[[4-(dimethylamino)pyrimidin-2-yl]amino]cyclohexyl]-3,4-difluorobenzamide;hydrochloride
CID 23027394
3-chloro-N-[4-[methyl-[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]benzamide
CID 167099137
N-cyclopropyl-5-(4-phenylphenyl)pyridine-3-carboxamide
CID 42845850

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-fluoro-3-[methyl-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)amino]benzamide?
The IUPAC name of N-cyclopropyl-4-fluoro-3-[methyl-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)amino]benzamide (CID 67263241) is N-cyclopropyl-4-fluoro-3-[methyl-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)amino]benzamide.
What is the SMILES notation for N-cyclopropyl-4-fluoro-3-[methyl-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)amino]benzamide?
The canonical SMILES for N-cyclopropyl-4-fluoro-3-[methyl-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)amino]benzamide is CN(c1cnc2[nH]c(-c3ccccc3)cc2c1)c1cc(C(=O)NC2CC2)ccc1F.
What is the InChIKey of N-cyclopropyl-4-fluoro-3-[methyl-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)amino]benzamide?
The InChIKey is YSWSGZHGPXSOCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN4O/c1-29(22-13-16(7-10-20(22)25)24(30)27-18-8-9-18)19-11-17-12-21(28-23(17)26-14-19)15-5-3-2-4-6-15/h2-7,10-14,18H,8-9H2,1H3,(H,26,28)(H,27,30).
What are the key properties of N-cyclopropyl-4-fluoro-3-[methyl-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)amino]benzamide?
N-cyclopropyl-4-fluoro-3-[methyl-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)amino]benzamide has a molecular weight of 400.46 g/mol, XLogP of 5.03, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-fluoro-3-[methyl-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)amino]benzamide is sourced from PubChem (CID 67263241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).