N-[3-[3-(2-fluoro-3-hydroxybenzoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]acetamide

C22H16FN3O3 — CID 58087440

IUPACN-[3-[3-(2-fluoro-3-hydroxybenzoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2cnc3[nH]cc(C(=O)c4cccc(O)c4F)c3c2)c1
InChIInChI=1S/C22H16FN3O3/c1-12(27)26-15-5-2-4-13(8-15)14-9-17-18(11-25-22(17)24-10-14)21(29)16-6-3-7-19(28)20(16)23/h2-11,28H,1H3,(H,24,25)(H,26,27)
InChIKeyARZTVHOWGLQCDW-UHFFFAOYSA-N
MW389.39 g/mol
LogP4.26
Rot. Bonds4

About N-[3-[3-(2-fluoro-3-hydroxybenzoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]acetamide

N-[3-[3-(2-fluoro-3-hydroxybenzoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]acetamide (PubChem CID 58087440) has the molecular formula C22H16FN3O3 and a molecular weight of 389.39 g/mol. Its IUPAC name is N-[3-[3-(2-fluoro-3-hydroxybenzoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[3-(2-fluoro-3-hydroxybenzoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]acetamide
PubChem CID58087440
Molecular FormulaC22H16FN3O3
Molecular Weight389.39 g/mol
Exact Mass389.12
IUPAC NameN-[3-[3-(2-fluoro-3-hydroxybenzoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2cnc3[nH]cc(C(=O)c4cccc(O)c4F)c3c2)c1
InChIInChI=1S/C22H16FN3O3/c1-12(27)26-15-5-2-4-13(8-15)14-9-17-18(11-25-22(17)24-10-14)21(29)16-6-3-7-19(28)20(16)23/h2-11,28H,1H3,(H,24,25)(H,26,27)
InChIKeyARZTVHOWGLQCDW-UHFFFAOYSA-N
XLogP4.26
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.39
LogP ≤ 54.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(2-fluoro-3-hydroxybenzoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]acetamide?
The IUPAC name of N-[3-[3-(2-fluoro-3-hydroxybenzoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]acetamide (CID 58087440) is N-[3-[3-(2-fluoro-3-hydroxybenzoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]acetamide.
What is the SMILES notation for N-[3-[3-(2-fluoro-3-hydroxybenzoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]acetamide?
The canonical SMILES for N-[3-[3-(2-fluoro-3-hydroxybenzoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]acetamide is CC(=O)Nc1cccc(-c2cnc3[nH]cc(C(=O)c4cccc(O)c4F)c3c2)c1.
What is the InChIKey of N-[3-[3-(2-fluoro-3-hydroxybenzoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]acetamide?
The InChIKey is ARZTVHOWGLQCDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16FN3O3/c1-12(27)26-15-5-2-4-13(8-15)14-9-17-18(11-25-22(17)24-10-14)21(29)16-6-3-7-19(28)20(16)23/h2-11,28H,1H3,(H,24,25)(H,26,27).
What are the key properties of N-[3-[3-(2-fluoro-3-hydroxybenzoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]acetamide?
N-[3-[3-(2-fluoro-3-hydroxybenzoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]acetamide has a molecular weight of 389.39 g/mol, XLogP of 4.26, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(2-fluoro-3-hydroxybenzoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]acetamide is sourced from PubChem (CID 58087440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).