N-[4-fluoro-3-[6-(4-hydroxyphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]pyrrolidine-1-carboxamide

C23H20FN5O2 — CID 155518453

IUPACN-[4-fluoro-3-[6-(4-hydroxyphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]pyrrolidine-1-carboxamide
SMILESO=C(Nc1ccc(F)c(-c2nc3ncc(-c4ccc(O)cc4)cc3[nH]2)c1)N1CCCC1
InChIInChI=1S/C23H20FN5O2/c24-19-8-5-16(26-23(31)29-9-1-2-10-29)12-18(19)21-27-20-11-15(13-25-22(20)28-21)14-3-6-17(30)7-4-14/h3-8,11-13,30H,1-2,9-10H2,(H,26,31)(H,25,27,28)
InChIKeyAYZSUTKKFBYQKJ-UHFFFAOYSA-N
MW417.44 g/mol
LogP4.76
Rot. Bonds3

About N-[4-fluoro-3-[6-(4-hydroxyphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]pyrrolidine-1-carboxamide

N-[4-fluoro-3-[6-(4-hydroxyphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]pyrrolidine-1-carboxamide (PubChem CID 155518453) has the molecular formula C23H20FN5O2 and a molecular weight of 417.44 g/mol. Its IUPAC name is N-[4-fluoro-3-[6-(4-hydroxyphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[4-fluoro-3-[6-(4-hydroxyphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]pyrrolidine-1-carboxamide
PubChem CID155518453
Molecular FormulaC23H20FN5O2
Molecular Weight417.44 g/mol
Exact Mass417.16
IUPAC NameN-[4-fluoro-3-[6-(4-hydroxyphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]pyrrolidine-1-carboxamide
SMILESO=C(Nc1ccc(F)c(-c2nc3ncc(-c4ccc(O)cc4)cc3[nH]2)c1)N1CCCC1
InChIInChI=1S/C23H20FN5O2/c24-19-8-5-16(26-23(31)29-9-1-2-10-29)12-18(19)21-27-20-11-15(13-25-22(20)28-21)14-3-6-17(30)7-4-14/h3-8,11-13,30H,1-2,9-10H2,(H,26,31)(H,25,27,28)
InChIKeyAYZSUTKKFBYQKJ-UHFFFAOYSA-N
XLogP4.76
TPSA94.14 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.44
LogP ≤ 54.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-fluoro-3-[6-(4-hydroxyphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]pyrrolidine-1-carboxamide?
The IUPAC name of N-[4-fluoro-3-[6-(4-hydroxyphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]pyrrolidine-1-carboxamide (CID 155518453) is N-[4-fluoro-3-[6-(4-hydroxyphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[4-fluoro-3-[6-(4-hydroxyphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-[4-fluoro-3-[6-(4-hydroxyphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]pyrrolidine-1-carboxamide is O=C(Nc1ccc(F)c(-c2nc3ncc(-c4ccc(O)cc4)cc3[nH]2)c1)N1CCCC1.
What is the InChIKey of N-[4-fluoro-3-[6-(4-hydroxyphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]pyrrolidine-1-carboxamide?
The InChIKey is AYZSUTKKFBYQKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN5O2/c24-19-8-5-16(26-23(31)29-9-1-2-10-29)12-18(19)21-27-20-11-15(13-25-22(20)28-21)14-3-6-17(30)7-4-14/h3-8,11-13,30H,1-2,9-10H2,(H,26,31)(H,25,27,28).
What are the key properties of N-[4-fluoro-3-[6-(4-hydroxyphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]pyrrolidine-1-carboxamide?
N-[4-fluoro-3-[6-(4-hydroxyphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]pyrrolidine-1-carboxamide has a molecular weight of 417.44 g/mol, XLogP of 4.76, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-fluoro-3-[6-(4-hydroxyphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 155518453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).