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

C26H20FN5O — CID 162687674

IUPAC2-(4-fluorophenyl)-N-[4-(3-pyridin-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)-2-pyridinyl]propanamide
SMILESCC(C(=O)Nc1cc(-c2[nH]c3cccnc3c2-c2ccccn2)ccn1)c1ccc(F)cc1
InChIInChI=1S/C26H20FN5O/c1-16(17-7-9-19(27)10-8-17)26(33)32-22-15-18(11-14-29-22)24-23(20-5-2-3-12-28-20)25-21(31-24)6-4-13-30-25/h2-16,31H,1H3,(H,29,32,33)
InChIKeyNQIKPWAJXBQQRO-UHFFFAOYSA-N
MW437.48 g/mol
LogP5.57
Rot. Bonds5

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

2-(4-fluorophenyl)-N-[4-(3-pyridin-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)-2-pyridinyl]propanamide (PubChem CID 162687674) has the molecular formula C26H20FN5O and a molecular weight of 437.48 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[4-(3-pyridin-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)-2-pyridinyl]propanamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[4-(3-pyridin-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)-2-pyridinyl]propanamide
PubChem CID162687674
Molecular FormulaC26H20FN5O
Molecular Weight437.48 g/mol
Exact Mass437.17
IUPAC Name2-(4-fluorophenyl)-N-[4-(3-pyridin-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)-2-pyridinyl]propanamide
SMILESCC(C(=O)Nc1cc(-c2[nH]c3cccnc3c2-c2ccccn2)ccn1)c1ccc(F)cc1
InChIInChI=1S/C26H20FN5O/c1-16(17-7-9-19(27)10-8-17)26(33)32-22-15-18(11-14-29-22)24-23(20-5-2-3-12-28-20)25-21(31-24)6-4-13-30-25/h2-16,31H,1H3,(H,29,32,33)
InChIKeyNQIKPWAJXBQQRO-UHFFFAOYSA-N
XLogP5.57
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.48
LogP ≤ 55.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(4-fluorophenyl)-N-[4-(3-pyridin-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)-2-pyridinyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-[4-(3-pyridin-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)-2-pyridinyl]propanamide?
The IUPAC name of 2-(4-fluorophenyl)-N-[4-(3-pyridin-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)-2-pyridinyl]propanamide (CID 162687674) is 2-(4-fluorophenyl)-N-[4-(3-pyridin-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)-2-pyridinyl]propanamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[4-(3-pyridin-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)-2-pyridinyl]propanamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-[4-(3-pyridin-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)-2-pyridinyl]propanamide is CC(C(=O)Nc1cc(-c2[nH]c3cccnc3c2-c2ccccn2)ccn1)c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-N-[4-(3-pyridin-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)-2-pyridinyl]propanamide?
The InChIKey is NQIKPWAJXBQQRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20FN5O/c1-16(17-7-9-19(27)10-8-17)26(33)32-22-15-18(11-14-29-22)24-23(20-5-2-3-12-28-20)25-21(31-24)6-4-13-30-25/h2-16,31H,1H3,(H,29,32,33).
What are the key properties of 2-(4-fluorophenyl)-N-[4-(3-pyridin-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)-2-pyridinyl]propanamide?
2-(4-fluorophenyl)-N-[4-(3-pyridin-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)-2-pyridinyl]propanamide has a molecular weight of 437.48 g/mol, XLogP of 5.57, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[4-(3-pyridin-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)-2-pyridinyl]propanamide is sourced from PubChem (CID 162687674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).