1-(4-carbamoylphenyl)-N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-2-oxopyridine-3-carboxamide

C26H18FN5O4 — CID 24901681

IUPAC1-(4-carbamoylphenyl)-N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-2-oxopyridine-3-carboxamide
SMILESNC(=O)c1ccc(-n2cccc(C(=O)Nc3ccc(Oc4ccnc5[nH]ccc45)c(F)c3)c2=O)cc1
InChIInChI=1S/C26H18FN5O4/c27-20-14-16(5-8-22(20)36-21-10-12-30-24-18(21)9-11-29-24)31-25(34)19-2-1-13-32(26(19)35)17-6-3-15(4-7-17)23(28)33/h1-14H,(H2,28,33)(H,29,30)(H,31,34)
InChIKeySACMNTKVYLDWMF-UHFFFAOYSA-N
MW483.46 g/mol
LogP4.00
Rot. Bonds6

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

1-(4-carbamoylphenyl)-N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-2-oxopyridine-3-carboxamide (PubChem CID 24901681) has the molecular formula C26H18FN5O4 and a molecular weight of 483.46 g/mol. Its IUPAC name is 1-(4-carbamoylphenyl)-N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1-(4-carbamoylphenyl)-N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-2-oxopyridine-3-carboxamide
PubChem CID24901681
Molecular FormulaC26H18FN5O4
Molecular Weight483.46 g/mol
Exact Mass483.13
IUPAC Name1-(4-carbamoylphenyl)-N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-2-oxopyridine-3-carboxamide
SMILESNC(=O)c1ccc(-n2cccc(C(=O)Nc3ccc(Oc4ccnc5[nH]ccc45)c(F)c3)c2=O)cc1
InChIInChI=1S/C26H18FN5O4/c27-20-14-16(5-8-22(20)36-21-10-12-30-24-18(21)9-11-29-24)31-25(34)19-2-1-13-32(26(19)35)17-6-3-15(4-7-17)23(28)33/h1-14H,(H2,28,33)(H,29,30)(H,31,34)
InChIKeySACMNTKVYLDWMF-UHFFFAOYSA-N
XLogP4.00
TPSA132.10 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.46
LogP ≤ 54.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-carbamoylphenyl)-N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-2-oxopyridine-3-carboxamide?
The IUPAC name of 1-(4-carbamoylphenyl)-N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-2-oxopyridine-3-carboxamide (CID 24901681) is 1-(4-carbamoylphenyl)-N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-2-oxopyridine-3-carboxamide.
What is the SMILES notation for 1-(4-carbamoylphenyl)-N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-2-oxopyridine-3-carboxamide?
The canonical SMILES for 1-(4-carbamoylphenyl)-N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-2-oxopyridine-3-carboxamide is NC(=O)c1ccc(-n2cccc(C(=O)Nc3ccc(Oc4ccnc5[nH]ccc45)c(F)c3)c2=O)cc1.
What is the InChIKey of 1-(4-carbamoylphenyl)-N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-2-oxopyridine-3-carboxamide?
The InChIKey is SACMNTKVYLDWMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18FN5O4/c27-20-14-16(5-8-22(20)36-21-10-12-30-24-18(21)9-11-29-24)31-25(34)19-2-1-13-32(26(19)35)17-6-3-15(4-7-17)23(28)33/h1-14H,(H2,28,33)(H,29,30)(H,31,34).
What are the key properties of 1-(4-carbamoylphenyl)-N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-2-oxopyridine-3-carboxamide?
1-(4-carbamoylphenyl)-N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-2-oxopyridine-3-carboxamide has a molecular weight of 483.46 g/mol, XLogP of 4.00, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-carbamoylphenyl)-N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 24901681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).