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

C19H16ClN5 — CID 87191292

IUPAC6-chloro-N-(2-pyridin-4-ylethyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine
SMILESClc1cc(-c2c[nH]c3ncccc23)cc(NCCc2ccncc2)n1
InChIInChI=1S/C19H16ClN5/c20-17-10-14(16-12-24-19-15(16)2-1-6-23-19)11-18(25-17)22-9-5-13-3-7-21-8-4-13/h1-4,6-8,10-12H,5,9H2,(H,22,25)(H,23,24)
InChIKeyXASHOFDGDGAUFB-UHFFFAOYSA-N
MW349.83 g/mol
LogP4.33
Rot. Bonds5

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

6-chloro-N-(2-pyridin-4-ylethyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine (PubChem CID 87191292) has the molecular formula C19H16ClN5 and a molecular weight of 349.83 g/mol. Its IUPAC name is 6-chloro-N-(2-pyridin-4-ylethyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine.

Molecular Properties

Compound Name6-chloro-N-(2-pyridin-4-ylethyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine
PubChem CID87191292
Molecular FormulaC19H16ClN5
Molecular Weight349.83 g/mol
Exact Mass349.11
IUPAC Name6-chloro-N-(2-pyridin-4-ylethyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine
SMILESClc1cc(-c2c[nH]c3ncccc23)cc(NCCc2ccncc2)n1
InChIInChI=1S/C19H16ClN5/c20-17-10-14(16-12-24-19-15(16)2-1-6-23-19)11-18(25-17)22-9-5-13-3-7-21-8-4-13/h1-4,6-8,10-12H,5,9H2,(H,22,25)(H,23,24)
InChIKeyXASHOFDGDGAUFB-UHFFFAOYSA-N
XLogP4.33
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.83
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2-pyridin-4-ylethyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine?
The IUPAC name of 6-chloro-N-(2-pyridin-4-ylethyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine (CID 87191292) is 6-chloro-N-(2-pyridin-4-ylethyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine.
What is the SMILES notation for 6-chloro-N-(2-pyridin-4-ylethyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine?
The canonical SMILES for 6-chloro-N-(2-pyridin-4-ylethyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine is Clc1cc(-c2c[nH]c3ncccc23)cc(NCCc2ccncc2)n1.
What is the InChIKey of 6-chloro-N-(2-pyridin-4-ylethyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine?
The InChIKey is XASHOFDGDGAUFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN5/c20-17-10-14(16-12-24-19-15(16)2-1-6-23-19)11-18(25-17)22-9-5-13-3-7-21-8-4-13/h1-4,6-8,10-12H,5,9H2,(H,22,25)(H,23,24).
What are the key properties of 6-chloro-N-(2-pyridin-4-ylethyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine?
6-chloro-N-(2-pyridin-4-ylethyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine has a molecular weight of 349.83 g/mol, XLogP of 4.33, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2-pyridin-4-ylethyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine is sourced from PubChem (CID 87191292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).