(2R)-2-amino-3-(4-hydroxyphenyl)-N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]propanamide

C22H20N4O2 — CID 176840688

IUPAC(2R)-2-amino-3-(4-hydroxyphenyl)-N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]propanamide
SMILESN[C@H](Cc1ccc(O)cc1)C(=O)Nc1ccc(-c2ccnc3[nH]ccc23)cc1
InChIInChI=1S/C22H20N4O2/c23-20(13-14-1-7-17(27)8-2-14)22(28)26-16-5-3-15(4-6-16)18-9-11-24-21-19(18)10-12-25-21/h1-12,20,27H,13,23H2,(H,24,25)(H,26,28)/t20-/m1/s1
InChIKeyOLJPQYYXAYMFLW-HXUWFJFHSA-N
MW372.43 g/mol
LogP3.44
Rot. Bonds5

About (2R)-2-amino-3-(4-hydroxyphenyl)-N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]propanamide

(2R)-2-amino-3-(4-hydroxyphenyl)-N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]propanamide (PubChem CID 176840688) has the molecular formula C22H20N4O2 and a molecular weight of 372.43 g/mol. Its IUPAC name is (2R)-2-amino-3-(4-hydroxyphenyl)-N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]propanamide.

Molecular Properties

Compound Name(2R)-2-amino-3-(4-hydroxyphenyl)-N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]propanamide
PubChem CID176840688
Molecular FormulaC22H20N4O2
Molecular Weight372.43 g/mol
Exact Mass372.16
IUPAC Name(2R)-2-amino-3-(4-hydroxyphenyl)-N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]propanamide
SMILESN[C@H](Cc1ccc(O)cc1)C(=O)Nc1ccc(-c2ccnc3[nH]ccc23)cc1
InChIInChI=1S/C22H20N4O2/c23-20(13-14-1-7-17(27)8-2-14)22(28)26-16-5-3-15(4-6-16)18-9-11-24-21-19(18)10-12-25-21/h1-12,20,27H,13,23H2,(H,24,25)(H,26,28)/t20-/m1/s1
InChIKeyOLJPQYYXAYMFLW-HXUWFJFHSA-N
XLogP3.44
TPSA104.03 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 53.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-(4-hydroxyphenyl)-N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]propanamide?
The IUPAC name of (2R)-2-amino-3-(4-hydroxyphenyl)-N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]propanamide (CID 176840688) is (2R)-2-amino-3-(4-hydroxyphenyl)-N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]propanamide.
What is the SMILES notation for (2R)-2-amino-3-(4-hydroxyphenyl)-N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]propanamide?
The canonical SMILES for (2R)-2-amino-3-(4-hydroxyphenyl)-N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]propanamide is N[C@H](Cc1ccc(O)cc1)C(=O)Nc1ccc(-c2ccnc3[nH]ccc23)cc1.
What is the InChIKey of (2R)-2-amino-3-(4-hydroxyphenyl)-N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]propanamide?
The InChIKey is OLJPQYYXAYMFLW-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H20N4O2/c23-20(13-14-1-7-17(27)8-2-14)22(28)26-16-5-3-15(4-6-16)18-9-11-24-21-19(18)10-12-25-21/h1-12,20,27H,13,23H2,(H,24,25)(H,26,28)/t20-/m1/s1.
What are the key properties of (2R)-2-amino-3-(4-hydroxyphenyl)-N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]propanamide?
(2R)-2-amino-3-(4-hydroxyphenyl)-N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]propanamide has a molecular weight of 372.43 g/mol, XLogP of 3.44, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-(4-hydroxyphenyl)-N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]propanamide is sourced from PubChem (CID 176840688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).