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

C23H20FN5O — CID 66829942

IUPACN-cyclopropyl-4-fluoro-3-[methyl-(2-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)amino]benzamide
SMILESCN(c1cnc2[nH]c(-c3cccnc3)cc2c1)c1cc(C(=O)NC2CC2)ccc1F
InChIInChI=1S/C23H20FN5O/c1-29(21-11-14(4-7-19(21)24)23(30)27-17-5-6-17)18-9-16-10-20(28-22(16)26-13-18)15-3-2-8-25-12-15/h2-4,7-13,17H,5-6H2,1H3,(H,26,28)(H,27,30)
InChIKeyLEVAQEFNJUDZKI-UHFFFAOYSA-N
MW401.45 g/mol
LogP4.42
Rot. Bonds5

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

N-cyclopropyl-4-fluoro-3-[methyl-(2-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)amino]benzamide (PubChem CID 66829942) has the molecular formula C23H20FN5O and a molecular weight of 401.45 g/mol. Its IUPAC name is N-cyclopropyl-4-fluoro-3-[methyl-(2-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)amino]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-fluoro-3-[methyl-(2-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)amino]benzamide
PubChem CID66829942
Molecular FormulaC23H20FN5O
Molecular Weight401.45 g/mol
Exact Mass401.17
IUPAC NameN-cyclopropyl-4-fluoro-3-[methyl-(2-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)amino]benzamide
SMILESCN(c1cnc2[nH]c(-c3cccnc3)cc2c1)c1cc(C(=O)NC2CC2)ccc1F
InChIInChI=1S/C23H20FN5O/c1-29(21-11-14(4-7-19(21)24)23(30)27-17-5-6-17)18-9-16-10-20(28-22(16)26-13-18)15-3-2-8-25-12-15/h2-4,7-13,17H,5-6H2,1H3,(H,26,28)(H,27,30)
InChIKeyLEVAQEFNJUDZKI-UHFFFAOYSA-N
XLogP4.42
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.45
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-fluoro-3-[methyl-(2-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)amino]benzamide?
The IUPAC name of N-cyclopropyl-4-fluoro-3-[methyl-(2-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)amino]benzamide (CID 66829942) is N-cyclopropyl-4-fluoro-3-[methyl-(2-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)amino]benzamide.
What is the SMILES notation for N-cyclopropyl-4-fluoro-3-[methyl-(2-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)amino]benzamide?
The canonical SMILES for N-cyclopropyl-4-fluoro-3-[methyl-(2-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)amino]benzamide is CN(c1cnc2[nH]c(-c3cccnc3)cc2c1)c1cc(C(=O)NC2CC2)ccc1F.
What is the InChIKey of N-cyclopropyl-4-fluoro-3-[methyl-(2-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)amino]benzamide?
The InChIKey is LEVAQEFNJUDZKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN5O/c1-29(21-11-14(4-7-19(21)24)23(30)27-17-5-6-17)18-9-16-10-20(28-22(16)26-13-18)15-3-2-8-25-12-15/h2-4,7-13,17H,5-6H2,1H3,(H,26,28)(H,27,30).
What are the key properties of N-cyclopropyl-4-fluoro-3-[methyl-(2-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)amino]benzamide?
N-cyclopropyl-4-fluoro-3-[methyl-(2-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)amino]benzamide has a molecular weight of 401.45 g/mol, XLogP of 4.42, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-fluoro-3-[methyl-(2-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)amino]benzamide is sourced from PubChem (CID 66829942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).