N-[5-[3-(3-cyanophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-ethoxy-3-pyridinyl]prop-2-enamide

C24H19N5O2 — CID 135238208

IUPACN-[5-[3-(3-cyanophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-ethoxy-3-pyridinyl]prop-2-enamide
SMILESC=CC(=O)Nc1cc(-c2cnc3[nH]cc(-c4cccc(C#N)c4)c3c2)cnc1OCC
InChIInChI=1S/C24H19N5O2/c1-3-22(30)29-21-10-18(13-28-24(21)31-4-2)17-9-19-20(14-27-23(19)26-12-17)16-7-5-6-15(8-16)11-25/h3,5-10,12-14H,1,4H2,2H3,(H,26,27)(H,29,30)
InChIKeySEHMIZRBBJBWPR-UHFFFAOYSA-N
MW409.45 g/mol
LogP4.69
Rot. Bonds6

About N-[5-[3-(3-cyanophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-ethoxy-3-pyridinyl]prop-2-enamide

N-[5-[3-(3-cyanophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-ethoxy-3-pyridinyl]prop-2-enamide (PubChem CID 135238208) has the molecular formula C24H19N5O2 and a molecular weight of 409.45 g/mol. Its IUPAC name is N-[5-[3-(3-cyanophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-ethoxy-3-pyridinyl]prop-2-enamide.

Molecular Properties

Compound NameN-[5-[3-(3-cyanophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-ethoxy-3-pyridinyl]prop-2-enamide
PubChem CID135238208
Molecular FormulaC24H19N5O2
Molecular Weight409.45 g/mol
Exact Mass409.15
IUPAC NameN-[5-[3-(3-cyanophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-ethoxy-3-pyridinyl]prop-2-enamide
SMILESC=CC(=O)Nc1cc(-c2cnc3[nH]cc(-c4cccc(C#N)c4)c3c2)cnc1OCC
InChIInChI=1S/C24H19N5O2/c1-3-22(30)29-21-10-18(13-28-24(21)31-4-2)17-9-19-20(14-27-23(19)26-12-17)16-7-5-6-15(8-16)11-25/h3,5-10,12-14H,1,4H2,2H3,(H,26,27)(H,29,30)
InChIKeySEHMIZRBBJBWPR-UHFFFAOYSA-N
XLogP4.69
TPSA103.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.45
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-[5-[3-(3-cyanophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-4-(dimethylamino)but-2-enamide
CID 135237798
N-[3-[3-(5-ethyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide
CID 135253623
2-[4-[5-(3-cyanophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]phenyl]acetic acid
CID 11953086
N-[3-[3-(2-ethylpyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide
CID 149184419
1-[3-(3-cyanophenyl)-5-[3-(prop-2-enoylamino)phenyl]pyrrolo[2,3-b]pyridin-1-yl]ethyl ethyl hydrogen phosphate
CID 135238139
N-[3-[3-[2-methyl-6-(methylamino)pyrimidin-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide
CID 122421842
N-[5-[3-(2-methoxy-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-methyl-2-oxo-3-pyridinyl]prop-2-enamide
CID 122421378
N-[3-[3-(1H-pyrrolo[2,3-c]pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide
CID 122421544
N-[5-[3-[2-(methylamino)-4-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]prop-2-enamide
CID 122421618
N-(4-propan-2-ylphenyl)-5-[5-[3-(prop-2-enoylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-2-carboxamide
CID 122421656
N-[3-[3-[3-(methylideneamino)-2-[(Z)-prop-1-enyl]phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide
CID 145127928
N-(2-methyl-4-propan-2-ylphenyl)-5-[5-[3-(prop-2-enoylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-2-carboxamide
CID 122421944

Frequently Asked Questions

What is the IUPAC name of N-[5-[3-(3-cyanophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-ethoxy-3-pyridinyl]prop-2-enamide?
The IUPAC name of N-[5-[3-(3-cyanophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-ethoxy-3-pyridinyl]prop-2-enamide (CID 135238208) is N-[5-[3-(3-cyanophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-ethoxy-3-pyridinyl]prop-2-enamide.
What is the SMILES notation for N-[5-[3-(3-cyanophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-ethoxy-3-pyridinyl]prop-2-enamide?
The canonical SMILES for N-[5-[3-(3-cyanophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-ethoxy-3-pyridinyl]prop-2-enamide is C=CC(=O)Nc1cc(-c2cnc3[nH]cc(-c4cccc(C#N)c4)c3c2)cnc1OCC.
What is the InChIKey of N-[5-[3-(3-cyanophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-ethoxy-3-pyridinyl]prop-2-enamide?
The InChIKey is SEHMIZRBBJBWPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N5O2/c1-3-22(30)29-21-10-18(13-28-24(21)31-4-2)17-9-19-20(14-27-23(19)26-12-17)16-7-5-6-15(8-16)11-25/h3,5-10,12-14H,1,4H2,2H3,(H,26,27)(H,29,30).
What are the key properties of N-[5-[3-(3-cyanophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-ethoxy-3-pyridinyl]prop-2-enamide?
N-[5-[3-(3-cyanophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-ethoxy-3-pyridinyl]prop-2-enamide has a molecular weight of 409.45 g/mol, XLogP of 4.69, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[3-(3-cyanophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-ethoxy-3-pyridinyl]prop-2-enamide is sourced from PubChem (CID 135238208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).