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

C25H17F2N5O3 — CID 21081774

IUPAC5-amino-1-(4-fluorophenyl)-N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-2-oxopyridine-3-carboxamide
SMILESNc1cc(C(=O)Nc2ccc(Oc3ccnc4[nH]ccc34)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1
InChIInChI=1S/C25H17F2N5O3/c26-14-1-4-17(5-2-14)32-13-15(28)11-19(25(32)34)24(33)31-16-3-6-22(20(27)12-16)35-21-8-10-30-23-18(21)7-9-29-23/h1-13H,28H2,(H,29,30)(H,31,33)
InChIKeySSSKYKHNNPYQNS-UHFFFAOYSA-N
MW473.44 g/mol
LogP4.62
Rot. Bonds5

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

5-amino-1-(4-fluorophenyl)-N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-2-oxopyridine-3-carboxamide (PubChem CID 21081774) has the molecular formula C25H17F2N5O3 and a molecular weight of 473.44 g/mol. Its IUPAC name is 5-amino-1-(4-fluorophenyl)-N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name5-amino-1-(4-fluorophenyl)-N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-2-oxopyridine-3-carboxamide
PubChem CID21081774
Molecular FormulaC25H17F2N5O3
Molecular Weight473.44 g/mol
Exact Mass473.13
IUPAC Name5-amino-1-(4-fluorophenyl)-N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-2-oxopyridine-3-carboxamide
SMILESNc1cc(C(=O)Nc2ccc(Oc3ccnc4[nH]ccc34)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1
InChIInChI=1S/C25H17F2N5O3/c26-14-1-4-17(5-2-14)32-13-15(28)11-19(25(32)34)24(33)31-16-3-6-22(20(27)12-16)35-21-8-10-30-23-18(21)7-9-29-23/h1-13H,28H2,(H,29,30)(H,31,33)
InChIKeySSSKYKHNNPYQNS-UHFFFAOYSA-N
XLogP4.62
TPSA115.03 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.44
LogP ≤ 54.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(4-fluorophenyl)-N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-2-oxopyridine-3-carboxamide?
The IUPAC name of 5-amino-1-(4-fluorophenyl)-N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-2-oxopyridine-3-carboxamide (CID 21081774) is 5-amino-1-(4-fluorophenyl)-N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-2-oxopyridine-3-carboxamide.
What is the SMILES notation for 5-amino-1-(4-fluorophenyl)-N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-2-oxopyridine-3-carboxamide?
The canonical SMILES for 5-amino-1-(4-fluorophenyl)-N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-2-oxopyridine-3-carboxamide is Nc1cc(C(=O)Nc2ccc(Oc3ccnc4[nH]ccc34)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1.
What is the InChIKey of 5-amino-1-(4-fluorophenyl)-N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-2-oxopyridine-3-carboxamide?
The InChIKey is SSSKYKHNNPYQNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17F2N5O3/c26-14-1-4-17(5-2-14)32-13-15(28)11-19(25(32)34)24(33)31-16-3-6-22(20(27)12-16)35-21-8-10-30-23-18(21)7-9-29-23/h1-13H,28H2,(H,29,30)(H,31,33).
What are the key properties of 5-amino-1-(4-fluorophenyl)-N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-2-oxopyridine-3-carboxamide?
5-amino-1-(4-fluorophenyl)-N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-2-oxopyridine-3-carboxamide has a molecular weight of 473.44 g/mol, XLogP of 4.62, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(4-fluorophenyl)-N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 21081774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).