N-(2-amino-1-phenylethyl)-4-[2-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]thiophene-2-carboxamide

C24H20N4O2S — CID 24804613

IUPACN-(2-amino-1-phenylethyl)-4-[2-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]thiophene-2-carboxamide
SMILESNCC(NC(=O)c1cc(-c2c(-c3ccoc3)[nH]c3ncccc23)cs1)c1ccccc1
InChIInChI=1S/C24H20N4O2S/c25-12-19(15-5-2-1-3-6-15)27-24(29)20-11-17(14-31-20)21-18-7-4-9-26-23(18)28-22(21)16-8-10-30-13-16/h1-11,13-14,19H,12,25H2,(H,26,28)(H,27,29)
InChIKeyUOIJGMXLVLJZOL-UHFFFAOYSA-N
MW428.52 g/mol
LogP4.98
Rot. Bonds6

About N-(2-amino-1-phenylethyl)-4-[2-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]thiophene-2-carboxamide

N-(2-amino-1-phenylethyl)-4-[2-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]thiophene-2-carboxamide (PubChem CID 24804613) has the molecular formula C24H20N4O2S and a molecular weight of 428.52 g/mol. Its IUPAC name is N-(2-amino-1-phenylethyl)-4-[2-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-amino-1-phenylethyl)-4-[2-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]thiophene-2-carboxamide
PubChem CID24804613
Molecular FormulaC24H20N4O2S
Molecular Weight428.52 g/mol
Exact Mass428.13
IUPAC NameN-(2-amino-1-phenylethyl)-4-[2-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]thiophene-2-carboxamide
SMILESNCC(NC(=O)c1cc(-c2c(-c3ccoc3)[nH]c3ncccc23)cs1)c1ccccc1
InChIInChI=1S/C24H20N4O2S/c25-12-19(15-5-2-1-3-6-15)27-24(29)20-11-17(14-31-20)21-18-7-4-9-26-23(18)28-22(21)16-8-10-30-13-16/h1-11,13-14,19H,12,25H2,(H,26,28)(H,27,29)
InChIKeyUOIJGMXLVLJZOL-UHFFFAOYSA-N
XLogP4.98
TPSA96.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.52
LogP ≤ 54.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-phenylethyl)-4-[2-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]thiophene-2-carboxamide?
The IUPAC name of N-(2-amino-1-phenylethyl)-4-[2-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]thiophene-2-carboxamide (CID 24804613) is N-(2-amino-1-phenylethyl)-4-[2-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-(2-amino-1-phenylethyl)-4-[2-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]thiophene-2-carboxamide?
The canonical SMILES for N-(2-amino-1-phenylethyl)-4-[2-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]thiophene-2-carboxamide is NCC(NC(=O)c1cc(-c2c(-c3ccoc3)[nH]c3ncccc23)cs1)c1ccccc1.
What is the InChIKey of N-(2-amino-1-phenylethyl)-4-[2-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]thiophene-2-carboxamide?
The InChIKey is UOIJGMXLVLJZOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O2S/c25-12-19(15-5-2-1-3-6-15)27-24(29)20-11-17(14-31-20)21-18-7-4-9-26-23(18)28-22(21)16-8-10-30-13-16/h1-11,13-14,19H,12,25H2,(H,26,28)(H,27,29).
What are the key properties of N-(2-amino-1-phenylethyl)-4-[2-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]thiophene-2-carboxamide?
N-(2-amino-1-phenylethyl)-4-[2-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]thiophene-2-carboxamide has a molecular weight of 428.52 g/mol, XLogP of 4.98, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-phenylethyl)-4-[2-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]thiophene-2-carboxamide is sourced from PubChem (CID 24804613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).