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

C21H20N4OS — CID 24805107

IUPAC4-amino-2-phenyl-N-[5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophen-2-yl]butanamide
SMILESNCCC(C(=O)Nc1ccc(-c2ccnc3[nH]ccc23)s1)c1ccccc1
InChIInChI=1S/C21H20N4OS/c22-11-8-15(14-4-2-1-3-5-14)21(26)25-19-7-6-18(27-19)16-9-12-23-20-17(16)10-13-24-20/h1-7,9-10,12-13,15H,8,11,22H2,(H,23,24)(H,25,26)
InChIKeyRLLLNDQZDIDOSS-UHFFFAOYSA-N
MW376.49 g/mol
LogP4.36
Rot. Bonds6

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

4-amino-2-phenyl-N-[5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophen-2-yl]butanamide (PubChem CID 24805107) has the molecular formula C21H20N4OS and a molecular weight of 376.49 g/mol. Its IUPAC name is 4-amino-2-phenyl-N-[5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophen-2-yl]butanamide.

Molecular Properties

Compound Name4-amino-2-phenyl-N-[5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophen-2-yl]butanamide
PubChem CID24805107
Molecular FormulaC21H20N4OS
Molecular Weight376.49 g/mol
Exact Mass376.14
IUPAC Name4-amino-2-phenyl-N-[5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophen-2-yl]butanamide
SMILESNCCC(C(=O)Nc1ccc(-c2ccnc3[nH]ccc23)s1)c1ccccc1
InChIInChI=1S/C21H20N4OS/c22-11-8-15(14-4-2-1-3-5-14)21(26)25-19-7-6-18(27-19)16-9-12-23-20-17(16)10-13-24-20/h1-7,9-10,12-13,15H,8,11,22H2,(H,23,24)(H,25,26)
InChIKeyRLLLNDQZDIDOSS-UHFFFAOYSA-N
XLogP4.36
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.49
LogP ≤ 54.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-2-phenyl-N-[5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophen-2-yl]propanamide
CID 24805106
N-(2-aminoethyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophene-2-carboxamide
CID 24803135
N-(3-amino-1-phenylpropyl)-4-bromo-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophene-2-carboxamide
CID 24802788
[3,3-dimethyl-1-phenyl-1-[[5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophene-2-carbonyl]amino]butan-2-yl]carbamic acid
CID 69102721
N-(1H-imidazol-2-yl)-2-phenylbutanamide
CID 60967236
5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophene-2-sulfonamide
CID 70730320
N-[N-(1-amino-3-phenylpropan-2-yl)-C-[5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophen-2-yl]carbonimidoyl]formamide
CID 143499361
N-(2-amino-1-phenylethyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)furan-2-carboxamide
CID 70315373
5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-N-(2,3,3-trifluoropropyl)thiophene-2-carboxamide
CID 162559380
N-(1-amino-4-phenylbutan-2-yl)-4-bromo-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophene-2-carboxamide
CID 69102545
3-amino-2-phenyl-N-thieno[2,3-c]pyridin-2-ylpropanamide
CID 175026342
N-(1-amino-3-phenylpropan-2-yl)-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophene-2-carboxamide
CID 69102089

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-phenyl-N-[5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophen-2-yl]butanamide?
The IUPAC name of 4-amino-2-phenyl-N-[5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophen-2-yl]butanamide (CID 24805107) is 4-amino-2-phenyl-N-[5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophen-2-yl]butanamide.
What is the SMILES notation for 4-amino-2-phenyl-N-[5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophen-2-yl]butanamide?
The canonical SMILES for 4-amino-2-phenyl-N-[5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophen-2-yl]butanamide is NCCC(C(=O)Nc1ccc(-c2ccnc3[nH]ccc23)s1)c1ccccc1.
What is the InChIKey of 4-amino-2-phenyl-N-[5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophen-2-yl]butanamide?
The InChIKey is RLLLNDQZDIDOSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4OS/c22-11-8-15(14-4-2-1-3-5-14)21(26)25-19-7-6-18(27-19)16-9-12-23-20-17(16)10-13-24-20/h1-7,9-10,12-13,15H,8,11,22H2,(H,23,24)(H,25,26).
What are the key properties of 4-amino-2-phenyl-N-[5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophen-2-yl]butanamide?
4-amino-2-phenyl-N-[5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophen-2-yl]butanamide has a molecular weight of 376.49 g/mol, XLogP of 4.36, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-phenyl-N-[5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophen-2-yl]butanamide is sourced from PubChem (CID 24805107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).