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

C24H18N4O2 — CID 122421964

IUPAC(E)-3-[3-(3-furo[2,3-b]pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-N-methylprop-2-enamide
SMILESCNC(=O)/C=C/c1cccc(-c2cnc3[nH]cc(-c4ccnc5occc45)c3c2)c1
InChIInChI=1S/C24H18N4O2/c1-25-22(29)6-5-15-3-2-4-16(11-15)17-12-20-21(14-28-23(20)27-13-17)18-7-9-26-24-19(18)8-10-30-24/h2-14H,1H3,(H,25,29)(H,27,28)/b6-5+
InChIKeyHMBLCXDWHZVTLX-AATRIKPKSA-N
MW394.43 g/mol
LogP4.80
Rot. Bonds4

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

(E)-3-[3-(3-furo[2,3-b]pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-N-methylprop-2-enamide (PubChem CID 122421964) has the molecular formula C24H18N4O2 and a molecular weight of 394.43 g/mol. Its IUPAC name is (E)-3-[3-(3-furo[2,3-b]pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-N-methylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-[3-(3-furo[2,3-b]pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-N-methylprop-2-enamide
PubChem CID122421964
Molecular FormulaC24H18N4O2
Molecular Weight394.43 g/mol
Exact Mass394.14
IUPAC Name(E)-3-[3-(3-furo[2,3-b]pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-N-methylprop-2-enamide
SMILESCNC(=O)/C=C/c1cccc(-c2cnc3[nH]cc(-c4ccnc5occc45)c3c2)c1
InChIInChI=1S/C24H18N4O2/c1-25-22(29)6-5-15-3-2-4-16(11-15)17-12-20-21(14-28-23(20)27-13-17)18-7-9-26-24-19(18)8-10-30-24/h2-14H,1H3,(H,25,29)(H,27,28)/b6-5+
InChIKeyHMBLCXDWHZVTLX-AATRIKPKSA-N
XLogP4.80
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-methyl-3-[3-[3-[6-(methylamino)pyrimidin-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide
CID 122421310
(E)-4-(dimethylamino)-N-[4-(3-furo[2,3-b]pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)-6-methoxy-2-pyridinyl]but-2-enamide
CID 122421498
3-(3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)benzaldehyde
CID 122421773
3-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzaldehyde
CID 175416952
(E)-2-cyano-N-methyl-3-[3-[3-[6-(methylamino)pyrimidin-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide
CID 122421290
methyl (Z)-3-[3-[3-[3-(methanesulfonamido)benzoyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enoate
CID 134454192
3-[3-(2-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol
CID 59699823
N-[3-[3-(2-ethylpyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide
CID 149184419
(E)-2-cyano-3-[3-[3-(2-methoxy-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide
CID 122421313
(E)-2-cyano-N-methyl-3-[3-[3-[5-(methylamino)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide
CID 122421617
3-(3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenol
CID 59699898
(E)-3-[3-[3-(2,4-dichlorobenzoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enoic acid
CID 58087277

Frequently Asked Questions

What is the IUPAC name of (E)-3-[3-(3-furo[2,3-b]pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-N-methylprop-2-enamide?
The IUPAC name of (E)-3-[3-(3-furo[2,3-b]pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-N-methylprop-2-enamide (CID 122421964) is (E)-3-[3-(3-furo[2,3-b]pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-N-methylprop-2-enamide.
What is the SMILES notation for (E)-3-[3-(3-furo[2,3-b]pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-N-methylprop-2-enamide?
The canonical SMILES for (E)-3-[3-(3-furo[2,3-b]pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-N-methylprop-2-enamide is CNC(=O)/C=C/c1cccc(-c2cnc3[nH]cc(-c4ccnc5occc45)c3c2)c1.
What is the InChIKey of (E)-3-[3-(3-furo[2,3-b]pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-N-methylprop-2-enamide?
The InChIKey is HMBLCXDWHZVTLX-AATRIKPKSA-N. The full InChI is InChI=1S/C24H18N4O2/c1-25-22(29)6-5-15-3-2-4-16(11-15)17-12-20-21(14-28-23(20)27-13-17)18-7-9-26-24-19(18)8-10-30-24/h2-14H,1H3,(H,25,29)(H,27,28)/b6-5+.
What are the key properties of (E)-3-[3-(3-furo[2,3-b]pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-N-methylprop-2-enamide?
(E)-3-[3-(3-furo[2,3-b]pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-N-methylprop-2-enamide has a molecular weight of 394.43 g/mol, XLogP of 4.80, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[3-(3-furo[2,3-b]pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-N-methylprop-2-enamide is sourced from PubChem (CID 122421964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).