N-[2-fluoro-3-methoxy-5-[3-(2-methoxy-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylprop-2-enamide

C24H21FN4O3 — CID 135238075

IUPACN-[2-fluoro-3-methoxy-5-[3-(2-methoxy-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylprop-2-enamide
SMILESC=CC(=O)N(C)c1cc(-c2cnc3[nH]cc(-c4ccnc(OC)c4)c3c2)cc(OC)c1F
InChIInChI=1S/C24H21FN4O3/c1-5-22(30)29(2)19-9-15(10-20(31-3)23(19)25)16-8-17-18(13-28-24(17)27-12-16)14-6-7-26-21(11-14)32-4/h5-13H,1H2,2-4H3,(H,27,28)
InChIKeyXILHQUIVYHXGRS-UHFFFAOYSA-N
MW432.46 g/mol
LogP4.60
Rot. Bonds6

About N-[2-fluoro-3-methoxy-5-[3-(2-methoxy-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylprop-2-enamide

N-[2-fluoro-3-methoxy-5-[3-(2-methoxy-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylprop-2-enamide (PubChem CID 135238075) has the molecular formula C24H21FN4O3 and a molecular weight of 432.46 g/mol. Its IUPAC name is N-[2-fluoro-3-methoxy-5-[3-(2-methoxy-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylprop-2-enamide.

Molecular Properties

Compound NameN-[2-fluoro-3-methoxy-5-[3-(2-methoxy-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylprop-2-enamide
PubChem CID135238075
Molecular FormulaC24H21FN4O3
Molecular Weight432.46 g/mol
Exact Mass432.16
IUPAC NameN-[2-fluoro-3-methoxy-5-[3-(2-methoxy-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylprop-2-enamide
SMILESC=CC(=O)N(C)c1cc(-c2cnc3[nH]cc(-c4ccnc(OC)c4)c3c2)cc(OC)c1F
InChIInChI=1S/C24H21FN4O3/c1-5-22(30)29(2)19-9-15(10-20(31-3)23(19)25)16-8-17-18(13-28-24(17)27-12-16)14-6-7-26-21(11-14)32-4/h5-13H,1H2,2-4H3,(H,27,28)
InChIKeyXILHQUIVYHXGRS-UHFFFAOYSA-N
XLogP4.60
TPSA80.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.46
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-3-methoxy-5-[3-(2-methoxy-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylprop-2-enamide?
The IUPAC name of N-[2-fluoro-3-methoxy-5-[3-(2-methoxy-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylprop-2-enamide (CID 135238075) is N-[2-fluoro-3-methoxy-5-[3-(2-methoxy-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylprop-2-enamide.
What is the SMILES notation for N-[2-fluoro-3-methoxy-5-[3-(2-methoxy-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylprop-2-enamide?
The canonical SMILES for N-[2-fluoro-3-methoxy-5-[3-(2-methoxy-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylprop-2-enamide is C=CC(=O)N(C)c1cc(-c2cnc3[nH]cc(-c4ccnc(OC)c4)c3c2)cc(OC)c1F.
What is the InChIKey of N-[2-fluoro-3-methoxy-5-[3-(2-methoxy-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylprop-2-enamide?
The InChIKey is XILHQUIVYHXGRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN4O3/c1-5-22(30)29(2)19-9-15(10-20(31-3)23(19)25)16-8-17-18(13-28-24(17)27-12-16)14-6-7-26-21(11-14)32-4/h5-13H,1H2,2-4H3,(H,27,28).
What are the key properties of N-[2-fluoro-3-methoxy-5-[3-(2-methoxy-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylprop-2-enamide?
N-[2-fluoro-3-methoxy-5-[3-(2-methoxy-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylprop-2-enamide has a molecular weight of 432.46 g/mol, XLogP of 4.60, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-3-methoxy-5-[3-(2-methoxy-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylprop-2-enamide is sourced from PubChem (CID 135238075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).