N-benzyl-5-(3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide;1-[tert-butyl(dimethyl)silyl]-5-(3-fluorophenyl)pyrrolo[2,3-b]pyridine-3-carboxylic acid;phenylmethanamine

C48H48F2N6O3Si — CID 157486847

IUPACN-benzyl-5-(3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide;1-[tert-butyl(dimethyl)silyl]-5-(3-fluorophenyl)pyrrolo[2,3-b]pyridine-3-carboxylic acid;phenylmethanamine
SMILESCC(C)(C)[Si](C)(C)n1cc(C(=O)O)c2cc(-c3cccc(F)c3)cnc21.NCc1ccccc1.O=C(NCc1ccccc1)c1c[nH]c2ncc(-c3cccc(F)c3)cc12
InChIInChI=1S/C21H16FN3O.C20H23FN2O2Si.C7H9N/c22-17-8-4-7-15(9-17)16-10-18-19(13-24-20(18)23-12-16)21(26)25-11-14-5-2-1-3-6-14;1-20(2,3)26(4,5)23-12-17(19(24)25)16-10-14(11-22-18(16)23)13-7-6-8-15(21)9-13;8-6-7-4-2-1-3-5-7/h1-10,12-13H,11H2,(H,23,24)(H,25,26);6-12H,1-5H3,(H,24,25);1-5H,6,8H2
InChIKeyBWUXHGXBUZKXEO-UHFFFAOYSA-N
MW823.03 g/mol
LogP10.84
Rot. Bonds8

About N-benzyl-5-(3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide;1-[tert-butyl(dimethyl)silyl]-5-(3-fluorophenyl)pyrrolo[2,3-b]pyridine-3-carboxylic acid;phenylmethanamine

N-benzyl-5-(3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide;1-[tert-butyl(dimethyl)silyl]-5-(3-fluorophenyl)pyrrolo[2,3-b]pyridine-3-carboxylic acid;phenylmethanamine (PubChem CID 157486847) has the molecular formula C48H48F2N6O3Si and a molecular weight of 823.03 g/mol. Its IUPAC name is N-benzyl-5-(3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide;1-[tert-butyl(dimethyl)silyl]-5-(3-fluorophenyl)pyrrolo[2,3-b]pyridine-3-carboxylic acid;phenylmethanamine.

Molecular Properties

Compound NameN-benzyl-5-(3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide;1-[tert-butyl(dimethyl)silyl]-5-(3-fluorophenyl)pyrrolo[2,3-b]pyridine-3-carboxylic acid;phenylmethanamine
PubChem CID157486847
Molecular FormulaC48H48F2N6O3Si
Molecular Weight823.03 g/mol
Exact Mass822.35
IUPAC NameN-benzyl-5-(3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide;1-[tert-butyl(dimethyl)silyl]-5-(3-fluorophenyl)pyrrolo[2,3-b]pyridine-3-carboxylic acid;phenylmethanamine
SMILESCC(C)(C)[Si](C)(C)n1cc(C(=O)O)c2cc(-c3cccc(F)c3)cnc21.NCc1ccccc1.O=C(NCc1ccccc1)c1c[nH]c2ncc(-c3cccc(F)c3)cc12
InChIInChI=1S/C21H16FN3O.C20H23FN2O2Si.C7H9N/c22-17-8-4-7-15(9-17)16-10-18-19(13-24-20(18)23-12-16)21(26)25-11-14-5-2-1-3-6-14;1-20(2,3)26(4,5)23-12-17(19(24)25)16-10-14(11-22-18(16)23)13-7-6-8-15(21)9-13;8-6-7-4-2-1-3-5-7/h1-10,12-13H,11H2,(H,23,24)(H,25,26);6-12H,1-5H3,(H,24,25);1-5H,6,8H2
InChIKeyBWUXHGXBUZKXEO-UHFFFAOYSA-N
XLogP10.84
TPSA138.92 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500823.03
LogP ≤ 510.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-benzyl-5-(3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide;1-[tert-butyl(dimethyl)silyl]-5-(3-fluorophenyl)pyrrolo[2,3-b]pyridine-3-carboxylic acid;phenylmethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[5-[6-(3-aminopropanoylamino)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]benzoic acid;2,2,2-trifluoroacetic acid
CID 44530160
3-[3-({[1-(3,4-Difluoro-benzyl)-2-oxo-1,2-dihydro-pyridine-3-carbonyl]-amino}-methyl)-phenyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid
CID 59362435
3-[3-[[[1-(2,3-difluorophenyl)-2-oxopyridine-3-carbonyl]amino]methyl]phenyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid
CID 134185906
1-(tert-butyldimethylsilyl)-5-(3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid
CID 57681138
4-[3-(3-fluoro-4-phenylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzoic acid
CID 11952606
3-[5-fluoro-4-[[(1S)-1-(4-fluorophenyl)ethyl]amino]pyrimidin-2-yl]-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid
CID 57597691
3-[[1-(4-fluorophenyl)ethyl-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)amino]methyl]benzoic acid
CID 68288432
2-[[(1S,3R)-3-[[5-fluoro-2-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)pyrimidin-4-yl]amino]cyclohexyl]carbamoyl]benzoic acid
CID 130402584
2-ethyl-4-[3-[[(Z)-2-fluoro-3-phenylprop-2-enoyl]amino]phenyl]-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylic acid
CID 134538185
3-[[2-fluoro-6-[(5-fluoro-3-pyridinyl)methylamino]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid
CID 140268710
5-(3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid
CID 142670737
3-[3-[3-[1-[(3,4-difluorophenyl)methyl]-2-oxo-3-pyridinyl]-3-oxopropyl]phenyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid
CID 157902437

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-(3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide;1-[tert-butyl(dimethyl)silyl]-5-(3-fluorophenyl)pyrrolo[2,3-b]pyridine-3-carboxylic acid;phenylmethanamine?
The IUPAC name of N-benzyl-5-(3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide;1-[tert-butyl(dimethyl)silyl]-5-(3-fluorophenyl)pyrrolo[2,3-b]pyridine-3-carboxylic acid;phenylmethanamine (CID 157486847) is N-benzyl-5-(3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide;1-[tert-butyl(dimethyl)silyl]-5-(3-fluorophenyl)pyrrolo[2,3-b]pyridine-3-carboxylic acid;phenylmethanamine.
What is the SMILES notation for N-benzyl-5-(3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide;1-[tert-butyl(dimethyl)silyl]-5-(3-fluorophenyl)pyrrolo[2,3-b]pyridine-3-carboxylic acid;phenylmethanamine?
The canonical SMILES for N-benzyl-5-(3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide;1-[tert-butyl(dimethyl)silyl]-5-(3-fluorophenyl)pyrrolo[2,3-b]pyridine-3-carboxylic acid;phenylmethanamine is CC(C)(C)[Si](C)(C)n1cc(C(=O)O)c2cc(-c3cccc(F)c3)cnc21.NCc1ccccc1.O=C(NCc1ccccc1)c1c[nH]c2ncc(-c3cccc(F)c3)cc12.
What is the InChIKey of N-benzyl-5-(3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide;1-[tert-butyl(dimethyl)silyl]-5-(3-fluorophenyl)pyrrolo[2,3-b]pyridine-3-carboxylic acid;phenylmethanamine?
The InChIKey is BWUXHGXBUZKXEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN3O.C20H23FN2O2Si.C7H9N/c22-17-8-4-7-15(9-17)16-10-18-19(13-24-20(18)23-12-16)21(26)25-11-14-5-2-1-3-6-14;1-20(2,3)26(4,5)23-12-17(19(24)25)16-10-14(11-22-18(16)23)13-7-6-8-15(21)9-13;8-6-7-4-2-1-3-5-7/h1-10,12-13H,11H2,(H,23,24)(H,25,26);6-12H,1-5H3,(H,24,25);1-5H,6,8H2.
What are the key properties of N-benzyl-5-(3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide;1-[tert-butyl(dimethyl)silyl]-5-(3-fluorophenyl)pyrrolo[2,3-b]pyridine-3-carboxylic acid;phenylmethanamine?
N-benzyl-5-(3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide;1-[tert-butyl(dimethyl)silyl]-5-(3-fluorophenyl)pyrrolo[2,3-b]pyridine-3-carboxylic acid;phenylmethanamine has a molecular weight of 823.03 g/mol, XLogP of 10.84, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-(3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide;1-[tert-butyl(dimethyl)silyl]-5-(3-fluorophenyl)pyrrolo[2,3-b]pyridine-3-carboxylic acid;phenylmethanamine is sourced from PubChem (CID 157486847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).