2-amino-N-[2-(4-fluorophenyl)-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-yl]-3-(4-hydroxyphenyl)propanamide

C27H22FN5O2 — CID 18175229

IUPAC2-amino-N-[2-(4-fluorophenyl)-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-yl]-3-(4-hydroxyphenyl)propanamide
SMILESNC(Cc1ccc(O)cc1)C(=O)Nc1ccc2c(-c3ccncc3)c(-c3ccc(F)cc3)[nH]c2n1
InChIInChI=1S/C27H22FN5O2/c28-19-5-3-18(4-6-19)25-24(17-11-13-30-14-12-17)21-9-10-23(31-26(21)33-25)32-27(35)22(29)15-16-1-7-20(34)8-2-16/h1-14,22,34H,15,29H2,(H2,31,32,33,35)
InChIKeyZTNJOUCHYWZFLG-UHFFFAOYSA-N
MW467.50 g/mol
LogP4.65
Rot. Bonds6

About 2-amino-N-[2-(4-fluorophenyl)-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-yl]-3-(4-hydroxyphenyl)propanamide

2-amino-N-[2-(4-fluorophenyl)-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-yl]-3-(4-hydroxyphenyl)propanamide (PubChem CID 18175229) has the molecular formula C27H22FN5O2 and a molecular weight of 467.50 g/mol. Its IUPAC name is 2-amino-N-[2-(4-fluorophenyl)-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-yl]-3-(4-hydroxyphenyl)propanamide.

Molecular Properties

Compound Name2-amino-N-[2-(4-fluorophenyl)-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-yl]-3-(4-hydroxyphenyl)propanamide
PubChem CID18175229
Molecular FormulaC27H22FN5O2
Molecular Weight467.50 g/mol
Exact Mass467.18
IUPAC Name2-amino-N-[2-(4-fluorophenyl)-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-yl]-3-(4-hydroxyphenyl)propanamide
SMILESNC(Cc1ccc(O)cc1)C(=O)Nc1ccc2c(-c3ccncc3)c(-c3ccc(F)cc3)[nH]c2n1
InChIInChI=1S/C27H22FN5O2/c28-19-5-3-18(4-6-19)25-24(17-11-13-30-14-12-17)21-9-10-23(31-26(21)33-25)32-27(35)22(29)15-16-1-7-20(34)8-2-16/h1-14,22,34H,15,29H2,(H2,31,32,33,35)
InChIKeyZTNJOUCHYWZFLG-UHFFFAOYSA-N
XLogP4.65
TPSA116.92 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.50
LogP ≤ 54.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(4-fluorophenyl)-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-yl]-3-(4-hydroxyphenyl)propanamide?
The IUPAC name of 2-amino-N-[2-(4-fluorophenyl)-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-yl]-3-(4-hydroxyphenyl)propanamide (CID 18175229) is 2-amino-N-[2-(4-fluorophenyl)-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-yl]-3-(4-hydroxyphenyl)propanamide.
What is the SMILES notation for 2-amino-N-[2-(4-fluorophenyl)-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-yl]-3-(4-hydroxyphenyl)propanamide?
The canonical SMILES for 2-amino-N-[2-(4-fluorophenyl)-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-yl]-3-(4-hydroxyphenyl)propanamide is NC(Cc1ccc(O)cc1)C(=O)Nc1ccc2c(-c3ccncc3)c(-c3ccc(F)cc3)[nH]c2n1.
What is the InChIKey of 2-amino-N-[2-(4-fluorophenyl)-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-yl]-3-(4-hydroxyphenyl)propanamide?
The InChIKey is ZTNJOUCHYWZFLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22FN5O2/c28-19-5-3-18(4-6-19)25-24(17-11-13-30-14-12-17)21-9-10-23(31-26(21)33-25)32-27(35)22(29)15-16-1-7-20(34)8-2-16/h1-14,22,34H,15,29H2,(H2,31,32,33,35).
What are the key properties of 2-amino-N-[2-(4-fluorophenyl)-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-yl]-3-(4-hydroxyphenyl)propanamide?
2-amino-N-[2-(4-fluorophenyl)-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-yl]-3-(4-hydroxyphenyl)propanamide has a molecular weight of 467.50 g/mol, XLogP of 4.65, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(4-fluorophenyl)-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-yl]-3-(4-hydroxyphenyl)propanamide is sourced from PubChem (CID 18175229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).