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

C20H18N4OS — CID 24805106

IUPAC3-amino-2-phenyl-N-[5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophen-2-yl]propanamide
SMILESNCC(C(=O)Nc1ccc(-c2ccnc3[nH]ccc23)s1)c1ccccc1
InChIInChI=1S/C20H18N4OS/c21-12-16(13-4-2-1-3-5-13)20(25)24-18-7-6-17(26-18)14-8-10-22-19-15(14)9-11-23-19/h1-11,16H,12,21H2,(H,22,23)(H,24,25)
InChIKeySZPYEVURGKSXEH-UHFFFAOYSA-N
MW362.46 g/mol
LogP3.97
Rot. Bonds5

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

3-amino-2-phenyl-N-[5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophen-2-yl]propanamide (PubChem CID 24805106) has the molecular formula C20H18N4OS and a molecular weight of 362.46 g/mol. Its IUPAC name is 3-amino-2-phenyl-N-[5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophen-2-yl]propanamide.

Molecular Properties

Compound Name3-amino-2-phenyl-N-[5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophen-2-yl]propanamide
PubChem CID24805106
Molecular FormulaC20H18N4OS
Molecular Weight362.46 g/mol
Exact Mass362.12
IUPAC Name3-amino-2-phenyl-N-[5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophen-2-yl]propanamide
SMILESNCC(C(=O)Nc1ccc(-c2ccnc3[nH]ccc23)s1)c1ccccc1
InChIInChI=1S/C20H18N4OS/c21-12-16(13-4-2-1-3-5-13)20(25)24-18-7-6-17(26-18)14-8-10-22-19-15(14)9-11-23-19/h1-11,16H,12,21H2,(H,22,23)(H,24,25)
InChIKeySZPYEVURGKSXEH-UHFFFAOYSA-N
XLogP3.97
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.46
LogP ≤ 53.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-phenyl-N-[5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophen-2-yl]propanamide?
The IUPAC name of 3-amino-2-phenyl-N-[5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophen-2-yl]propanamide (CID 24805106) is 3-amino-2-phenyl-N-[5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophen-2-yl]propanamide.
What is the SMILES notation for 3-amino-2-phenyl-N-[5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophen-2-yl]propanamide?
The canonical SMILES for 3-amino-2-phenyl-N-[5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophen-2-yl]propanamide is NCC(C(=O)Nc1ccc(-c2ccnc3[nH]ccc23)s1)c1ccccc1.
What is the InChIKey of 3-amino-2-phenyl-N-[5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophen-2-yl]propanamide?
The InChIKey is SZPYEVURGKSXEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4OS/c21-12-16(13-4-2-1-3-5-13)20(25)24-18-7-6-17(26-18)14-8-10-22-19-15(14)9-11-23-19/h1-11,16H,12,21H2,(H,22,23)(H,24,25).
What are the key properties of 3-amino-2-phenyl-N-[5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophen-2-yl]propanamide?
3-amino-2-phenyl-N-[5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophen-2-yl]propanamide has a molecular weight of 362.46 g/mol, XLogP of 3.97, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-phenyl-N-[5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophen-2-yl]propanamide is sourced from PubChem (CID 24805106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).