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

C23H20FN5O — CID 24955947

IUPACN-cyclopropyl-4-fluoro-3-[(2-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)methylamino]benzamide
SMILESO=C(NC1CC1)c1ccc(F)c(NCc2cnc3[nH]c(-c4cccnc4)cc3c2)c1
InChIInChI=1S/C23H20FN5O/c24-19-6-3-15(23(30)28-18-4-5-18)9-21(19)26-11-14-8-17-10-20(29-22(17)27-12-14)16-2-1-7-25-13-16/h1-3,6-10,12-13,18,26H,4-5,11H2,(H,27,29)(H,28,30)
InChIKeyVFPWGEBVMYGLPH-UHFFFAOYSA-N
MW401.45 g/mol
LogP4.27
Rot. Bonds6

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

N-cyclopropyl-4-fluoro-3-[(2-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)methylamino]benzamide (PubChem CID 24955947) has the molecular formula C23H20FN5O and a molecular weight of 401.45 g/mol. Its IUPAC name is N-cyclopropyl-4-fluoro-3-[(2-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)methylamino]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-fluoro-3-[(2-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)methylamino]benzamide
PubChem CID24955947
Molecular FormulaC23H20FN5O
Molecular Weight401.45 g/mol
Exact Mass401.17
IUPAC NameN-cyclopropyl-4-fluoro-3-[(2-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)methylamino]benzamide
SMILESO=C(NC1CC1)c1ccc(F)c(NCc2cnc3[nH]c(-c4cccnc4)cc3c2)c1
InChIInChI=1S/C23H20FN5O/c24-19-6-3-15(23(30)28-18-4-5-18)9-21(19)26-11-14-8-17-10-20(29-22(17)27-12-14)16-2-1-7-25-13-16/h1-3,6-10,12-13,18,26H,4-5,11H2,(H,27,29)(H,28,30)
InChIKeyVFPWGEBVMYGLPH-UHFFFAOYSA-N
XLogP4.27
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.45
LogP ≤ 54.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-cyclopropyl-4-fluoro-3-[(2-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)methylamino]benzamide with MolForge

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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-[methyl-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)amino]benzamide
CID 67263241
N-cyclopropyl-4-(12-fluoro-4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-13-yl)benzamide
CID 46917277
4-[2-amino-6-(pyridin-3-ylmethylamino)pyrimidin-4-yl]-N-cyclopropylbenzamide
CID 117082741
4-fluoro-N-[1-[(6-piperidin-1-yl-3-pyridinyl)methyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide
CID 90076936
3-[[2-[(6-bromo-2-pyridinyl)amino]-1,3-thiazol-5-yl]methylamino]-N-cyclopropyl-4-fluorobenzamide
CID 22019144
N-(1,1-dimethylsilinan-4-yl)-5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
CID 156715500
N-[1-[5-[[4-[(4-fluoro-3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]methyl]-2-pyridinyl]piperidin-4-yl]-4-methyl-3-pyridin-3-ylbenzamide
CID 90076746
N-cyclopropyl-4-[6-(pyridin-3-ylmethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]benzamide
CID 70778971
N-[1-[5-[(2,6-dimethylmorpholin-4-yl)methyl]-2-pyridinyl]piperidin-4-yl]-4-fluoro-3-pyridin-3-ylbenzamide
CID 90076905
N-cyclopentylpyridine-3-carboxamide
CID 805532
N-cyclopropyl-4-fluoro-3-(methylaminomethyl)benzamide;ethane
CID 142344711

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-fluoro-3-[(2-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)methylamino]benzamide?
The IUPAC name of N-cyclopropyl-4-fluoro-3-[(2-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)methylamino]benzamide (CID 24955947) is N-cyclopropyl-4-fluoro-3-[(2-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)methylamino]benzamide.
What is the SMILES notation for N-cyclopropyl-4-fluoro-3-[(2-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)methylamino]benzamide?
The canonical SMILES for N-cyclopropyl-4-fluoro-3-[(2-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)methylamino]benzamide is O=C(NC1CC1)c1ccc(F)c(NCc2cnc3[nH]c(-c4cccnc4)cc3c2)c1.
What is the InChIKey of N-cyclopropyl-4-fluoro-3-[(2-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)methylamino]benzamide?
The InChIKey is VFPWGEBVMYGLPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN5O/c24-19-6-3-15(23(30)28-18-4-5-18)9-21(19)26-11-14-8-17-10-20(29-22(17)27-12-14)16-2-1-7-25-13-16/h1-3,6-10,12-13,18,26H,4-5,11H2,(H,27,29)(H,28,30).
What are the key properties of N-cyclopropyl-4-fluoro-3-[(2-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)methylamino]benzamide?
N-cyclopropyl-4-fluoro-3-[(2-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)methylamino]benzamide has a molecular weight of 401.45 g/mol, XLogP of 4.27, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-fluoro-3-[(2-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)methylamino]benzamide is sourced from PubChem (CID 24955947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).