4-amino-N-[5-(furan-3-yl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)thiophen-2-yl]-2-phenylbutanamide

C25H22N4O2S — CID 24804614

IUPAC4-amino-N-[5-(furan-3-yl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)thiophen-2-yl]-2-phenylbutanamide
SMILESNCCC(C(=O)Nc1cc(-c2c[nH]c3ncccc23)c(-c2ccoc2)s1)c1ccccc1
InChIInChI=1S/C25H22N4O2S/c26-10-8-18(16-5-2-1-3-6-16)25(30)29-22-13-20(23(32-22)17-9-12-31-15-17)21-14-28-24-19(21)7-4-11-27-24/h1-7,9,11-15,18H,8,10,26H2,(H,27,28)(H,29,30)
InChIKeyXYGMWWUMVQVSIE-UHFFFAOYSA-N
MW442.54 g/mol
LogP5.62
Rot. Bonds7

About 4-amino-N-[5-(furan-3-yl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)thiophen-2-yl]-2-phenylbutanamide

4-amino-N-[5-(furan-3-yl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)thiophen-2-yl]-2-phenylbutanamide (PubChem CID 24804614) has the molecular formula C25H22N4O2S and a molecular weight of 442.54 g/mol. Its IUPAC name is 4-amino-N-[5-(furan-3-yl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)thiophen-2-yl]-2-phenylbutanamide.

Molecular Properties

Compound Name4-amino-N-[5-(furan-3-yl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)thiophen-2-yl]-2-phenylbutanamide
PubChem CID24804614
Molecular FormulaC25H22N4O2S
Molecular Weight442.54 g/mol
Exact Mass442.15
IUPAC Name4-amino-N-[5-(furan-3-yl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)thiophen-2-yl]-2-phenylbutanamide
SMILESNCCC(C(=O)Nc1cc(-c2c[nH]c3ncccc23)c(-c2ccoc2)s1)c1ccccc1
InChIInChI=1S/C25H22N4O2S/c26-10-8-18(16-5-2-1-3-6-16)25(30)29-22-13-20(23(32-22)17-9-12-31-15-17)21-14-28-24-19(21)7-4-11-27-24/h1-7,9,11-15,18H,8,10,26H2,(H,27,28)(H,29,30)
InChIKeyXYGMWWUMVQVSIE-UHFFFAOYSA-N
XLogP5.62
TPSA96.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.54
LogP ≤ 55.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(3-methoxyphenyl)methyl]-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)thieno[2,3-d]pyrimidin-4-one
CID 156012925
N-((S)-1-amino-3-(4-methoxyphenyl)propan-2-yl)-4-bromo-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophene-2-carboxamide
CID 44592502
N-[2-(2-methoxyethoxy)ethyl]-5-[2-(phenoxymethyl)-1H-imidazo[4,5-b]pyridin-6-yl]thiophene-3-carboxamide
CID 155537065
N-methyl-5-[2-(phenoxymethyl)-1H-imidazo[4,5-b]pyridin-6-yl]thiophene-3-carboxamide
CID 155547142
3-[(3,5-dimethoxyphenyl)methyl]-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)thieno[2,3-d]pyrimidin-4-one
CID 156009691
3-[(4-methoxyphenyl)methyl]-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)thieno[2,3-d]pyrimidin-4-one
CID 156012244
3-[(3,4-dimethoxyphenyl)methyl]-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)thieno[2,3-d]pyrimidin-4-one
CID 156020625
2-amino-N-ethyl-4-[3-[6-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]hexoxy]phenyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 145969339
3-(furan-3-yl)-5-phenyl-1H-pyrrolo[2,3-b]pyridine
CID 10106673
N-[(5-Phenoxythiophen-2-yl)methyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 49863203
N-[(2R)-1-amino-3-(4-methoxyphenyl)propan-2-yl]-4-bromo-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophene-2-carboxamide
CID 69101919
4-[2-[4-(2-morpholin-4-ylethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
CID 168198632

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[5-(furan-3-yl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)thiophen-2-yl]-2-phenylbutanamide?
The IUPAC name of 4-amino-N-[5-(furan-3-yl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)thiophen-2-yl]-2-phenylbutanamide (CID 24804614) is 4-amino-N-[5-(furan-3-yl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)thiophen-2-yl]-2-phenylbutanamide.
What is the SMILES notation for 4-amino-N-[5-(furan-3-yl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)thiophen-2-yl]-2-phenylbutanamide?
The canonical SMILES for 4-amino-N-[5-(furan-3-yl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)thiophen-2-yl]-2-phenylbutanamide is NCCC(C(=O)Nc1cc(-c2c[nH]c3ncccc23)c(-c2ccoc2)s1)c1ccccc1.
What is the InChIKey of 4-amino-N-[5-(furan-3-yl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)thiophen-2-yl]-2-phenylbutanamide?
The InChIKey is XYGMWWUMVQVSIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O2S/c26-10-8-18(16-5-2-1-3-6-16)25(30)29-22-13-20(23(32-22)17-9-12-31-15-17)21-14-28-24-19(21)7-4-11-27-24/h1-7,9,11-15,18H,8,10,26H2,(H,27,28)(H,29,30).
What are the key properties of 4-amino-N-[5-(furan-3-yl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)thiophen-2-yl]-2-phenylbutanamide?
4-amino-N-[5-(furan-3-yl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)thiophen-2-yl]-2-phenylbutanamide has a molecular weight of 442.54 g/mol, XLogP of 5.62, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[5-(furan-3-yl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)thiophen-2-yl]-2-phenylbutanamide is sourced from PubChem (CID 24804614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).