4-(4-chlorophenyl)-N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]pyridine-2-carboxamide

C25H17ClN4O2 — CID 127037200

IUPAC4-(4-chlorophenyl)-N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]pyridine-2-carboxamide
SMILESO=C(Nc1ccc(Oc2ccnc3[nH]ccc23)cc1)c1cc(-c2ccc(Cl)cc2)ccn1
InChIInChI=1S/C25H17ClN4O2/c26-18-3-1-16(2-4-18)17-9-12-27-22(15-17)25(31)30-19-5-7-20(8-6-19)32-23-11-14-29-24-21(23)10-13-28-24/h1-15H,(H,28,29)(H,30,31)
InChIKeyHCRGPGBEZNXFFH-UHFFFAOYSA-N
MW440.89 g/mol
LogP6.32
Rot. Bonds5

About 4-(4-chlorophenyl)-N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]pyridine-2-carboxamide

4-(4-chlorophenyl)-N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]pyridine-2-carboxamide (PubChem CID 127037200) has the molecular formula C25H17ClN4O2 and a molecular weight of 440.89 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(4-chlorophenyl)-N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]pyridine-2-carboxamide
PubChem CID127037200
Molecular FormulaC25H17ClN4O2
Molecular Weight440.89 g/mol
Exact Mass440.10
IUPAC Name4-(4-chlorophenyl)-N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]pyridine-2-carboxamide
SMILESO=C(Nc1ccc(Oc2ccnc3[nH]ccc23)cc1)c1cc(-c2ccc(Cl)cc2)ccn1
InChIInChI=1S/C25H17ClN4O2/c26-18-3-1-16(2-4-18)17-9-12-27-22(15-17)25(31)30-19-5-7-20(8-6-19)32-23-11-14-29-24-21(23)10-13-28-24/h1-15H,(H,28,29)(H,30,31)
InChIKeyHCRGPGBEZNXFFH-UHFFFAOYSA-N
XLogP6.32
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.89
LogP ≤ 56.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]pyridine-2-carboxamide?
The IUPAC name of 4-(4-chlorophenyl)-N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]pyridine-2-carboxamide (CID 127037200) is 4-(4-chlorophenyl)-N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-(4-chlorophenyl)-N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]pyridine-2-carboxamide?
The canonical SMILES for 4-(4-chlorophenyl)-N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]pyridine-2-carboxamide is O=C(Nc1ccc(Oc2ccnc3[nH]ccc23)cc1)c1cc(-c2ccc(Cl)cc2)ccn1.
What is the InChIKey of 4-(4-chlorophenyl)-N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]pyridine-2-carboxamide?
The InChIKey is HCRGPGBEZNXFFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17ClN4O2/c26-18-3-1-16(2-4-18)17-9-12-27-22(15-17)25(31)30-19-5-7-20(8-6-19)32-23-11-14-29-24-21(23)10-13-28-24/h1-15H,(H,28,29)(H,30,31).
What are the key properties of 4-(4-chlorophenyl)-N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]pyridine-2-carboxamide?
4-(4-chlorophenyl)-N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]pyridine-2-carboxamide has a molecular weight of 440.89 g/mol, XLogP of 6.32, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 127037200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).