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

C25H19FN4 — CID 22965709

IUPACN-benzyl-2-(4-fluorophenyl)-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-amine
SMILESFc1ccc(-c2[nH]c3nc(NCc4ccccc4)ccc3c2-c2ccncc2)cc1
InChIInChI=1S/C25H19FN4/c26-20-8-6-19(7-9-20)24-23(18-12-14-27-15-13-18)21-10-11-22(29-25(21)30-24)28-16-17-4-2-1-3-5-17/h1-15H,16H2,(H2,28,29,30)
InChIKeyXTWOWJJHYIIJNI-UHFFFAOYSA-N
MW394.45 g/mol
LogP6.04
Rot. Bonds5

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

N-benzyl-2-(4-fluorophenyl)-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-amine (PubChem CID 22965709) has the molecular formula C25H19FN4 and a molecular weight of 394.45 g/mol. Its IUPAC name is N-benzyl-2-(4-fluorophenyl)-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-amine.

Molecular Properties

Compound NameN-benzyl-2-(4-fluorophenyl)-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-amine
PubChem CID22965709
Molecular FormulaC25H19FN4
Molecular Weight394.45 g/mol
Exact Mass394.16
IUPAC NameN-benzyl-2-(4-fluorophenyl)-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-amine
SMILESFc1ccc(-c2[nH]c3nc(NCc4ccccc4)ccc3c2-c2ccncc2)cc1
InChIInChI=1S/C25H19FN4/c26-20-8-6-19(7-9-20)24-23(18-12-14-27-15-13-18)21-10-11-22(29-25(21)30-24)28-16-17-4-2-1-3-5-17/h1-15H,16H2,(H2,28,29,30)
InChIKeyXTWOWJJHYIIJNI-UHFFFAOYSA-N
XLogP6.04
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.45
LogP ≤ 56.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(4-fluorophenyl)-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-amine?
The IUPAC name of N-benzyl-2-(4-fluorophenyl)-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-amine (CID 22965709) is N-benzyl-2-(4-fluorophenyl)-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-amine.
What is the SMILES notation for N-benzyl-2-(4-fluorophenyl)-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-amine?
The canonical SMILES for N-benzyl-2-(4-fluorophenyl)-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-amine is Fc1ccc(-c2[nH]c3nc(NCc4ccccc4)ccc3c2-c2ccncc2)cc1.
What is the InChIKey of N-benzyl-2-(4-fluorophenyl)-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-amine?
The InChIKey is XTWOWJJHYIIJNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19FN4/c26-20-8-6-19(7-9-20)24-23(18-12-14-27-15-13-18)21-10-11-22(29-25(21)30-24)28-16-17-4-2-1-3-5-17/h1-15H,16H2,(H2,28,29,30).
What are the key properties of N-benzyl-2-(4-fluorophenyl)-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-amine?
N-benzyl-2-(4-fluorophenyl)-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-amine has a molecular weight of 394.45 g/mol, XLogP of 6.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(4-fluorophenyl)-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-amine is sourced from PubChem (CID 22965709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).