2-[6-[(4-fluorophenyl)methyl]-5-hydrazinyl-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-1-yl]-1-phenylethanone

C24H25FN4O — CID 176773584

IUPAC2-[6-[(4-fluorophenyl)methyl]-5-hydrazinyl-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-1-yl]-1-phenylethanone
SMILESCC1(C)CN(CC(=O)c2ccccc2)c2cc(Cc3ccc(F)cc3)c(NN)nc21
InChIInChI=1S/C24H25FN4O/c1-24(2)15-29(14-21(30)17-6-4-3-5-7-17)20-13-18(23(28-26)27-22(20)24)12-16-8-10-19(25)11-9-16/h3-11,13H,12,14-15,26H2,1-2H3,(H,27,28)
InChIKeySLAFPMTZRISWAU-UHFFFAOYSA-N
MW404.49 g/mol
LogP4.08
Rot. Bonds6

About 2-[6-[(4-fluorophenyl)methyl]-5-hydrazinyl-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-1-yl]-1-phenylethanone

2-[6-[(4-fluorophenyl)methyl]-5-hydrazinyl-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-1-yl]-1-phenylethanone (PubChem CID 176773584) has the molecular formula C24H25FN4O and a molecular weight of 404.49 g/mol. Its IUPAC name is 2-[6-[(4-fluorophenyl)methyl]-5-hydrazinyl-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-1-yl]-1-phenylethanone.

Molecular Properties

Compound Name2-[6-[(4-fluorophenyl)methyl]-5-hydrazinyl-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-1-yl]-1-phenylethanone
PubChem CID176773584
Molecular FormulaC24H25FN4O
Molecular Weight404.49 g/mol
Exact Mass404.20
IUPAC Name2-[6-[(4-fluorophenyl)methyl]-5-hydrazinyl-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-1-yl]-1-phenylethanone
SMILESCC1(C)CN(CC(=O)c2ccccc2)c2cc(Cc3ccc(F)cc3)c(NN)nc21
InChIInChI=1S/C24H25FN4O/c1-24(2)15-29(14-21(30)17-6-4-3-5-7-17)20-13-18(23(28-26)27-22(20)24)12-16-8-10-19(25)11-9-16/h3-11,13H,12,14-15,26H2,1-2H3,(H,27,28)
InChIKeySLAFPMTZRISWAU-UHFFFAOYSA-N
XLogP4.08
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[[1-acetyl-6-[(4-fluorophenyl)methyl]-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-5-yl]amino]carbamate
CID 169100784
1-[5-(1,2-dihydroxyethyl)-6-[(4-fluorophenyl)methyl]-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-1-yl]ethanone
CID 118169665
1-[1-ethyl-6-[(4-fluorophenyl)methyl]-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-5-yl]benzotriazole
CID 166837867
1-[6-[(4-fluorophenyl)methyl]-1,3,3-trimethyl-2H-pyrrolo[3,2-b]pyridin-5-yl]ethane-1,2-diol
CID 155017574
2-[1-but-1-en-2-yl-6-[(4-fluorophenyl)methyl]-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-5-yl]acetonitrile
CID 166838017
6-[(4-fluorophenyl)methyl]-1,3,3-trimethyl-2,4-dihydropyrrolo[3,2-b]pyridin-5-one
CID 155017563
[1-acetyl-6-[(3-fluorophenyl)methyl]-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-5-yl]methyl acetate
CID 118169689
4,4-dimethyl-1-phenacylpyrrolidin-2-one
CID 176908615
1-(4-fluorophenyl)-2-(2,2,6,6-tetramethylmorpholin-4-yl)ethanone
CID 102744717
2-chloro-1-[6-[(4-fluorophenyl)methyl]-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-1-yl]ethanone
CID 86724044
2-[4-(4-fluorobenzoyl)phenyl]-1-phenylethanone
CID 102580971
(2R,5S)-4-[2-[5-[tert-butyl(dimethyl)silyl]oxy-6-[(4-fluorophenyl)methyl]-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-1-yl]-2-oxoethyl]-2-methyl-5-[[(3R)-3-(phenylmethoxycarbonylamino)piperidin-1-yl]methyl]piperazine-1-carboxylic acid
CID 174146118

Frequently Asked Questions

What is the IUPAC name of 2-[6-[(4-fluorophenyl)methyl]-5-hydrazinyl-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-1-yl]-1-phenylethanone?
The IUPAC name of 2-[6-[(4-fluorophenyl)methyl]-5-hydrazinyl-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-1-yl]-1-phenylethanone (CID 176773584) is 2-[6-[(4-fluorophenyl)methyl]-5-hydrazinyl-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-1-yl]-1-phenylethanone.
What is the SMILES notation for 2-[6-[(4-fluorophenyl)methyl]-5-hydrazinyl-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-1-yl]-1-phenylethanone?
The canonical SMILES for 2-[6-[(4-fluorophenyl)methyl]-5-hydrazinyl-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-1-yl]-1-phenylethanone is CC1(C)CN(CC(=O)c2ccccc2)c2cc(Cc3ccc(F)cc3)c(NN)nc21.
What is the InChIKey of 2-[6-[(4-fluorophenyl)methyl]-5-hydrazinyl-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-1-yl]-1-phenylethanone?
The InChIKey is SLAFPMTZRISWAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN4O/c1-24(2)15-29(14-21(30)17-6-4-3-5-7-17)20-13-18(23(28-26)27-22(20)24)12-16-8-10-19(25)11-9-16/h3-11,13H,12,14-15,26H2,1-2H3,(H,27,28).
What are the key properties of 2-[6-[(4-fluorophenyl)methyl]-5-hydrazinyl-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-1-yl]-1-phenylethanone?
2-[6-[(4-fluorophenyl)methyl]-5-hydrazinyl-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-1-yl]-1-phenylethanone has a molecular weight of 404.49 g/mol, XLogP of 4.08, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[(4-fluorophenyl)methyl]-5-hydrazinyl-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-1-yl]-1-phenylethanone is sourced from PubChem (CID 176773584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).