2-(4-fluorophenyl)-4-(3-phenylpropoxy)-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-amine

C27H23FN4O — CID 10694315

IUPAC2-(4-fluorophenyl)-4-(3-phenylpropoxy)-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-amine
SMILESNc1cc(OCCCc2ccccc2)c2c(-c3ccncc3)c(-c3ccc(F)cc3)[nH]c2n1
InChIInChI=1S/C27H23FN4O/c28-21-10-8-20(9-11-21)26-24(19-12-14-30-15-13-19)25-22(17-23(29)31-27(25)32-26)33-16-4-7-18-5-2-1-3-6-18/h1-3,5-6,8-15,17H,4,7,16H2,(H3,29,31,32)
InChIKeyFDVXDXGMVYUYFV-UHFFFAOYSA-N
MW438.51 g/mol
LogP6.02
Rot. Bonds7

About 2-(4-fluorophenyl)-4-(3-phenylpropoxy)-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-amine

2-(4-fluorophenyl)-4-(3-phenylpropoxy)-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-amine (PubChem CID 10694315) has the molecular formula C27H23FN4O and a molecular weight of 438.51 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-4-(3-phenylpropoxy)-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-amine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-4-(3-phenylpropoxy)-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-amine
PubChem CID10694315
Molecular FormulaC27H23FN4O
Molecular Weight438.51 g/mol
Exact Mass438.19
IUPAC Name2-(4-fluorophenyl)-4-(3-phenylpropoxy)-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-amine
SMILESNc1cc(OCCCc2ccccc2)c2c(-c3ccncc3)c(-c3ccc(F)cc3)[nH]c2n1
InChIInChI=1S/C27H23FN4O/c28-21-10-8-20(9-11-21)26-24(19-12-14-30-15-13-19)25-22(17-23(29)31-27(25)32-26)33-16-4-7-18-5-2-1-3-6-18/h1-3,5-6,8-15,17H,4,7,16H2,(H3,29,31,32)
InChIKeyFDVXDXGMVYUYFV-UHFFFAOYSA-N
XLogP6.02
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.51
LogP ≤ 56.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-4-(3-phenylpropoxy)-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-amine?
The IUPAC name of 2-(4-fluorophenyl)-4-(3-phenylpropoxy)-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-amine (CID 10694315) is 2-(4-fluorophenyl)-4-(3-phenylpropoxy)-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-amine.
What is the SMILES notation for 2-(4-fluorophenyl)-4-(3-phenylpropoxy)-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-amine?
The canonical SMILES for 2-(4-fluorophenyl)-4-(3-phenylpropoxy)-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-amine is Nc1cc(OCCCc2ccccc2)c2c(-c3ccncc3)c(-c3ccc(F)cc3)[nH]c2n1.
What is the InChIKey of 2-(4-fluorophenyl)-4-(3-phenylpropoxy)-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-amine?
The InChIKey is FDVXDXGMVYUYFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23FN4O/c28-21-10-8-20(9-11-21)26-24(19-12-14-30-15-13-19)25-22(17-23(29)31-27(25)32-26)33-16-4-7-18-5-2-1-3-6-18/h1-3,5-6,8-15,17H,4,7,16H2,(H3,29,31,32).
What are the key properties of 2-(4-fluorophenyl)-4-(3-phenylpropoxy)-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-amine?
2-(4-fluorophenyl)-4-(3-phenylpropoxy)-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-amine has a molecular weight of 438.51 g/mol, XLogP of 6.02, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-4-(3-phenylpropoxy)-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-amine is sourced from PubChem (CID 10694315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).