N-[3-[(E)-2-(4-chlorophenyl)ethenyl]-1-methylpyrrolo[2,3-b]pyridin-5-yl]-2-fluoroprop-2-enamide

C19H15ClFN3O — CID 169260673

IUPACN-[3-[(E)-2-(4-chlorophenyl)ethenyl]-1-methylpyrrolo[2,3-b]pyridin-5-yl]-2-fluoroprop-2-enamide
SMILESC=C(F)C(=O)Nc1cnc2c(c1)c(/C=C/c1ccc(Cl)cc1)cn2C
InChIInChI=1S/C19H15ClFN3O/c1-12(21)19(25)23-16-9-17-14(11-24(2)18(17)22-10-16)6-3-13-4-7-15(20)8-5-13/h3-11H,1H2,2H3,(H,23,25)/b6-3+
InChIKeyOYHCBVHPWSVDRY-ZZXKWVIFSA-N
MW355.80 g/mol
LogP4.82
Rot. Bonds4

About N-[3-[(E)-2-(4-chlorophenyl)ethenyl]-1-methylpyrrolo[2,3-b]pyridin-5-yl]-2-fluoroprop-2-enamide

N-[3-[(E)-2-(4-chlorophenyl)ethenyl]-1-methylpyrrolo[2,3-b]pyridin-5-yl]-2-fluoroprop-2-enamide (PubChem CID 169260673) has the molecular formula C19H15ClFN3O and a molecular weight of 355.80 g/mol. Its IUPAC name is N-[3-[(E)-2-(4-chlorophenyl)ethenyl]-1-methylpyrrolo[2,3-b]pyridin-5-yl]-2-fluoroprop-2-enamide.

Molecular Properties

Compound NameN-[3-[(E)-2-(4-chlorophenyl)ethenyl]-1-methylpyrrolo[2,3-b]pyridin-5-yl]-2-fluoroprop-2-enamide
PubChem CID169260673
Molecular FormulaC19H15ClFN3O
Molecular Weight355.80 g/mol
Exact Mass355.09
IUPAC NameN-[3-[(E)-2-(4-chlorophenyl)ethenyl]-1-methylpyrrolo[2,3-b]pyridin-5-yl]-2-fluoroprop-2-enamide
SMILESC=C(F)C(=O)Nc1cnc2c(c1)c(/C=C/c1ccc(Cl)cc1)cn2C
InChIInChI=1S/C19H15ClFN3O/c1-12(21)19(25)23-16-9-17-14(11-24(2)18(17)22-10-16)6-3-13-4-7-15(20)8-5-13/h3-11H,1H2,2H3,(H,23,25)/b6-3+
InChIKeyOYHCBVHPWSVDRY-ZZXKWVIFSA-N
XLogP4.82
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.80
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[2-(3-chlorophenyl)ethenyl]-1-methylpyrrolo[2,3-b]pyridin-5-yl]prop-2-enamide
CID 170318346
3-[(E)-2-(4-chlorophenyl)ethenyl]-1-methylpyrrolo[2,3-b]pyridin-5-amine
CID 169260593
N-[3-[2-(3-fluoro-4-methoxyphenyl)ethenyl]-1-methylpyrrolo[2,3-b]pyridin-5-yl]prop-2-enamide
CID 170318313
N-[1-acetyl-3-[(E)-2-(4-chlorophenyl)ethenyl]indol-5-yl]prop-2-enamide
CID 169260730
N-[1-acetyl-3-[2-(4-chlorophenyl)ethenyl]indol-5-yl]prop-2-enamide
CID 170318354
N-[3-(4-acetylphenyl)-1-methylpyrrolo[2,3-b]pyridin-5-yl]prop-2-enamide
CID 169260634
N-[3-[[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]amino]-4-fluorophenyl]-2-fluoroprop-2-enamide
CID 163281014
N-[3-(4-cyanophenyl)-1-methylpyrrolo[2,3-b]pyridin-5-yl]prop-2-enamide
CID 169260618
N-[3-(cyclohexylmethyl)-1-methylpyrrolo[2,3-b]pyridin-5-yl]prop-2-enamide
CID 169260625
1-(4-chlorophenyl)-3-[5-(7-methylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]urea
CID 70817714
3,4-dichloro-N-(4-chlorophenyl)-1-methylpyrrolo[2,3-b]pyridine-5-carboxamide
CID 135253003
N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-2,5-difluorobenzamide
CID 134009067

Frequently Asked Questions

What is the IUPAC name of N-[3-[(E)-2-(4-chlorophenyl)ethenyl]-1-methylpyrrolo[2,3-b]pyridin-5-yl]-2-fluoroprop-2-enamide?
The IUPAC name of N-[3-[(E)-2-(4-chlorophenyl)ethenyl]-1-methylpyrrolo[2,3-b]pyridin-5-yl]-2-fluoroprop-2-enamide (CID 169260673) is N-[3-[(E)-2-(4-chlorophenyl)ethenyl]-1-methylpyrrolo[2,3-b]pyridin-5-yl]-2-fluoroprop-2-enamide.
What is the SMILES notation for N-[3-[(E)-2-(4-chlorophenyl)ethenyl]-1-methylpyrrolo[2,3-b]pyridin-5-yl]-2-fluoroprop-2-enamide?
The canonical SMILES for N-[3-[(E)-2-(4-chlorophenyl)ethenyl]-1-methylpyrrolo[2,3-b]pyridin-5-yl]-2-fluoroprop-2-enamide is C=C(F)C(=O)Nc1cnc2c(c1)c(/C=C/c1ccc(Cl)cc1)cn2C.
What is the InChIKey of N-[3-[(E)-2-(4-chlorophenyl)ethenyl]-1-methylpyrrolo[2,3-b]pyridin-5-yl]-2-fluoroprop-2-enamide?
The InChIKey is OYHCBVHPWSVDRY-ZZXKWVIFSA-N. The full InChI is InChI=1S/C19H15ClFN3O/c1-12(21)19(25)23-16-9-17-14(11-24(2)18(17)22-10-16)6-3-13-4-7-15(20)8-5-13/h3-11H,1H2,2H3,(H,23,25)/b6-3+.
What are the key properties of N-[3-[(E)-2-(4-chlorophenyl)ethenyl]-1-methylpyrrolo[2,3-b]pyridin-5-yl]-2-fluoroprop-2-enamide?
N-[3-[(E)-2-(4-chlorophenyl)ethenyl]-1-methylpyrrolo[2,3-b]pyridin-5-yl]-2-fluoroprop-2-enamide has a molecular weight of 355.80 g/mol, XLogP of 4.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(E)-2-(4-chlorophenyl)ethenyl]-1-methylpyrrolo[2,3-b]pyridin-5-yl]-2-fluoroprop-2-enamide is sourced from PubChem (CID 169260673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).