N-[2-methyl-5-[5-(2-methylpropoxy)-2-trimethylsilyl-1H-pyrrolo[2,3-b]pyridin-3-yl]phenyl]prop-2-enamide

C24H31N3O2Si — CID 156833832

IUPACN-[2-methyl-5-[5-(2-methylpropoxy)-2-trimethylsilyl-1H-pyrrolo[2,3-b]pyridin-3-yl]phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1cc(-c2c([Si](C)(C)C)[nH]c3ncc(OCC(C)C)cc23)ccc1C
InChIInChI=1S/C24H31N3O2Si/c1-8-21(28)26-20-11-17(10-9-16(20)4)22-19-12-18(29-14-15(2)3)13-25-23(19)27-24(22)30(5,6)7/h8-13,15H,1,14H2,2-7H3,(H,25,27)(H,26,28)
InChIKeyOVFHTYDDGVQARQ-UHFFFAOYSA-N
MW421.62 g/mol
LogP5.24
Rot. Bonds7

About N-[2-methyl-5-[5-(2-methylpropoxy)-2-trimethylsilyl-1H-pyrrolo[2,3-b]pyridin-3-yl]phenyl]prop-2-enamide

N-[2-methyl-5-[5-(2-methylpropoxy)-2-trimethylsilyl-1H-pyrrolo[2,3-b]pyridin-3-yl]phenyl]prop-2-enamide (PubChem CID 156833832) has the molecular formula C24H31N3O2Si and a molecular weight of 421.62 g/mol. Its IUPAC name is N-[2-methyl-5-[5-(2-methylpropoxy)-2-trimethylsilyl-1H-pyrrolo[2,3-b]pyridin-3-yl]phenyl]prop-2-enamide.

Molecular Properties

Compound NameN-[2-methyl-5-[5-(2-methylpropoxy)-2-trimethylsilyl-1H-pyrrolo[2,3-b]pyridin-3-yl]phenyl]prop-2-enamide
PubChem CID156833832
Molecular FormulaC24H31N3O2Si
Molecular Weight421.62 g/mol
Exact Mass421.22
IUPAC NameN-[2-methyl-5-[5-(2-methylpropoxy)-2-trimethylsilyl-1H-pyrrolo[2,3-b]pyridin-3-yl]phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1cc(-c2c([Si](C)(C)C)[nH]c3ncc(OCC(C)C)cc23)ccc1C
InChIInChI=1S/C24H31N3O2Si/c1-8-21(28)26-20-11-17(10-9-16(20)4)22-19-12-18(29-14-15(2)3)13-25-23(19)27-24(22)30(5,6)7/h8-13,15H,1,14H2,2-7H3,(H,25,27)(H,26,28)
InChIKeyOVFHTYDDGVQARQ-UHFFFAOYSA-N
XLogP5.24
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.62
LogP ≤ 55.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-4-(dimethylamino)-N-[2-methyl-5-[5-(2-methylpropoxy)-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]phenyl]but-2-enamide
CID 156759562
propan-2-yl 2-[4-[2-(dimethylamino)ethyl]phenyl]-3-[4-methyl-3-(prop-2-enoylamino)phenyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate
CID 146405473
propan-2-yl 2-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-[4-methyl-3-(prop-2-enoylamino)phenyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate
CID 146405406
N-[5-(5-bromo-4-chloro-2-iodo-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-methylphenyl]prop-2-enamide
CID 156833676
propan-2-yl 2-[4-[2-(dimethylamino)ethyl-methylamino]phenyl]-4-methyl-3-[4-methyl-3-(prop-2-enoylamino)phenyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate
CID 146405356
2-[4-(4-methylpiperazin-1-yl)phenyl]-3-[4-methyl-3-(prop-2-enoylamino)phenyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid;2,2,2-trifluoroacetic acid
CID 146401483
N-[2-methyl-5-[2-(1-methylpyrazol-4-yl)-5-[1-(oxetan-3-yl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]phenyl]prop-2-enamide;molecular hydrogen
CID 156833677
N-[5-[2-[4-[(3S)-3,4-dimethylpiperazin-1-yl]phenyl]-5-(2-methylpyrazol-3-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-methylphenyl]prop-2-enamide
CID 156759756
N-[5-[2-[4-[(3R)-3,4-dimethylpiperazin-1-yl]phenyl]-5-(1-ethylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-methylphenyl]prop-2-enamide
CID 156759755
N-[2-methyl-5-[2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]phenyl]prop-2-enamide
CID 146401353
N-[5-[5-[(Z)-1-amino-3-(oxetan-3-ylimino)prop-1-en-2-yl]-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-methylphenyl]prop-2-enamide
CID 156833669
N-[5-[2-[4-[(3S)-3,4-dimethylpiperazin-1-yl]phenyl]-4-methyl-5-(1-propan-2-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-methylphenyl]prop-2-enamide
CID 156759661

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-5-[5-(2-methylpropoxy)-2-trimethylsilyl-1H-pyrrolo[2,3-b]pyridin-3-yl]phenyl]prop-2-enamide?
The IUPAC name of N-[2-methyl-5-[5-(2-methylpropoxy)-2-trimethylsilyl-1H-pyrrolo[2,3-b]pyridin-3-yl]phenyl]prop-2-enamide (CID 156833832) is N-[2-methyl-5-[5-(2-methylpropoxy)-2-trimethylsilyl-1H-pyrrolo[2,3-b]pyridin-3-yl]phenyl]prop-2-enamide.
What is the SMILES notation for N-[2-methyl-5-[5-(2-methylpropoxy)-2-trimethylsilyl-1H-pyrrolo[2,3-b]pyridin-3-yl]phenyl]prop-2-enamide?
The canonical SMILES for N-[2-methyl-5-[5-(2-methylpropoxy)-2-trimethylsilyl-1H-pyrrolo[2,3-b]pyridin-3-yl]phenyl]prop-2-enamide is C=CC(=O)Nc1cc(-c2c([Si](C)(C)C)[nH]c3ncc(OCC(C)C)cc23)ccc1C.
What is the InChIKey of N-[2-methyl-5-[5-(2-methylpropoxy)-2-trimethylsilyl-1H-pyrrolo[2,3-b]pyridin-3-yl]phenyl]prop-2-enamide?
The InChIKey is OVFHTYDDGVQARQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O2Si/c1-8-21(28)26-20-11-17(10-9-16(20)4)22-19-12-18(29-14-15(2)3)13-25-23(19)27-24(22)30(5,6)7/h8-13,15H,1,14H2,2-7H3,(H,25,27)(H,26,28).
What are the key properties of N-[2-methyl-5-[5-(2-methylpropoxy)-2-trimethylsilyl-1H-pyrrolo[2,3-b]pyridin-3-yl]phenyl]prop-2-enamide?
N-[2-methyl-5-[5-(2-methylpropoxy)-2-trimethylsilyl-1H-pyrrolo[2,3-b]pyridin-3-yl]phenyl]prop-2-enamide has a molecular weight of 421.62 g/mol, XLogP of 5.24, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-5-[5-(2-methylpropoxy)-2-trimethylsilyl-1H-pyrrolo[2,3-b]pyridin-3-yl]phenyl]prop-2-enamide is sourced from PubChem (CID 156833832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).