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

C24H23FN4O3 — CID 21081766

IUPACN-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-1-(3-methylbutyl)-2-oxopyridine-3-carboxamide
SMILESCC(C)CCn1cccc(C(=O)Nc2ccc(Oc3ccnc4[nH]ccc34)c(F)c2)c1=O
InChIInChI=1S/C24H23FN4O3/c1-15(2)9-13-29-12-3-4-18(24(29)31)23(30)28-16-5-6-21(19(25)14-16)32-20-8-11-27-22-17(20)7-10-26-22/h3-8,10-12,14-15H,9,13H2,1-2H3,(H,26,27)(H,28,30)
InChIKeyPNCYPSGYEWPJHO-UHFFFAOYSA-N
MW434.47 g/mol
LogP4.95
Rot. Bonds7

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

N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-1-(3-methylbutyl)-2-oxopyridine-3-carboxamide (PubChem CID 21081766) has the molecular formula C24H23FN4O3 and a molecular weight of 434.47 g/mol. Its IUPAC name is N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-1-(3-methylbutyl)-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-1-(3-methylbutyl)-2-oxopyridine-3-carboxamide
PubChem CID21081766
Molecular FormulaC24H23FN4O3
Molecular Weight434.47 g/mol
Exact Mass434.18
IUPAC NameN-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-1-(3-methylbutyl)-2-oxopyridine-3-carboxamide
SMILESCC(C)CCn1cccc(C(=O)Nc2ccc(Oc3ccnc4[nH]ccc34)c(F)c2)c1=O
InChIInChI=1S/C24H23FN4O3/c1-15(2)9-13-29-12-3-4-18(24(29)31)23(30)28-16-5-6-21(19(25)14-16)32-20-8-11-27-22-17(20)7-10-26-22/h3-8,10-12,14-15H,9,13H2,1-2H3,(H,26,27)(H,28,30)
InChIKeyPNCYPSGYEWPJHO-UHFFFAOYSA-N
XLogP4.95
TPSA89.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.47
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-1-(3-methylbutyl)-2-oxopyridine-3-carboxamide?
The IUPAC name of N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-1-(3-methylbutyl)-2-oxopyridine-3-carboxamide (CID 21081766) is N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-1-(3-methylbutyl)-2-oxopyridine-3-carboxamide.
What is the SMILES notation for N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-1-(3-methylbutyl)-2-oxopyridine-3-carboxamide?
The canonical SMILES for N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-1-(3-methylbutyl)-2-oxopyridine-3-carboxamide is CC(C)CCn1cccc(C(=O)Nc2ccc(Oc3ccnc4[nH]ccc34)c(F)c2)c1=O.
What is the InChIKey of N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-1-(3-methylbutyl)-2-oxopyridine-3-carboxamide?
The InChIKey is PNCYPSGYEWPJHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN4O3/c1-15(2)9-13-29-12-3-4-18(24(29)31)23(30)28-16-5-6-21(19(25)14-16)32-20-8-11-27-22-17(20)7-10-26-22/h3-8,10-12,14-15H,9,13H2,1-2H3,(H,26,27)(H,28,30).
What are the key properties of N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-1-(3-methylbutyl)-2-oxopyridine-3-carboxamide?
N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-1-(3-methylbutyl)-2-oxopyridine-3-carboxamide has a molecular weight of 434.47 g/mol, XLogP of 4.95, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-1-(3-methylbutyl)-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 21081766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).