5-(4-chlorophenyl)-N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]pyridine-2-carboxamide

C25H16ClFN4O2 — CID 127036379

IUPAC5-(4-chlorophenyl)-N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]pyridine-2-carboxamide
SMILESO=C(Nc1ccc(Oc2ccnc3[nH]ccc23)c(F)c1)c1ccc(-c2ccc(Cl)cc2)cn1
InChIInChI=1S/C25H16ClFN4O2/c26-17-4-1-15(2-5-17)16-3-7-21(30-14-16)25(32)31-18-6-8-23(20(27)13-18)33-22-10-12-29-24-19(22)9-11-28-24/h1-14H,(H,28,29)(H,31,32)
InChIKeyZMANZIDJVZELIP-UHFFFAOYSA-N
MW458.88 g/mol
LogP6.46
Rot. Bonds5

About 5-(4-chlorophenyl)-N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]pyridine-2-carboxamide

5-(4-chlorophenyl)-N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]pyridine-2-carboxamide (PubChem CID 127036379) has the molecular formula C25H16ClFN4O2 and a molecular weight of 458.88 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]pyridine-2-carboxamide
PubChem CID127036379
Molecular FormulaC25H16ClFN4O2
Molecular Weight458.88 g/mol
Exact Mass458.09
IUPAC Name5-(4-chlorophenyl)-N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]pyridine-2-carboxamide
SMILESO=C(Nc1ccc(Oc2ccnc3[nH]ccc23)c(F)c1)c1ccc(-c2ccc(Cl)cc2)cn1
InChIInChI=1S/C25H16ClFN4O2/c26-17-4-1-15(2-5-17)16-3-7-21(30-14-16)25(32)31-18-6-8-23(20(27)13-18)33-22-10-12-29-24-19(22)9-11-28-24/h1-14H,(H,28,29)(H,31,32)
InChIKeyZMANZIDJVZELIP-UHFFFAOYSA-N
XLogP6.46
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.88
LogP ≤ 56.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]pyridine-2-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]pyridine-2-carboxamide (CID 127036379) is 5-(4-chlorophenyl)-N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]pyridine-2-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]pyridine-2-carboxamide is O=C(Nc1ccc(Oc2ccnc3[nH]ccc23)c(F)c1)c1ccc(-c2ccc(Cl)cc2)cn1.
What is the InChIKey of 5-(4-chlorophenyl)-N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]pyridine-2-carboxamide?
The InChIKey is ZMANZIDJVZELIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16ClFN4O2/c26-17-4-1-15(2-5-17)16-3-7-21(30-14-16)25(32)31-18-6-8-23(20(27)13-18)33-22-10-12-29-24-19(22)9-11-28-24/h1-14H,(H,28,29)(H,31,32).
What are the key properties of 5-(4-chlorophenyl)-N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]pyridine-2-carboxamide?
5-(4-chlorophenyl)-N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]pyridine-2-carboxamide has a molecular weight of 458.88 g/mol, XLogP of 6.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 127036379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).