2-phenyl-N'-[5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophen-2-yl]propane-1,3-diamine

C20H20N4S — CID 24803959

IUPAC2-phenyl-N'-[5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophen-2-yl]propane-1,3-diamine
SMILESNCC(CNc1ccc(-c2ccnc3[nH]ccc23)s1)c1ccccc1
InChIInChI=1S/C20H20N4S/c21-12-15(14-4-2-1-3-5-14)13-24-19-7-6-18(25-19)16-8-10-22-20-17(16)9-11-23-20/h1-11,15,24H,12-13,21H2,(H,22,23)
InChIKeyYDRKDXNMZVEHNN-UHFFFAOYSA-N
MW348.48 g/mol
LogP4.45
Rot. Bonds6

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

2-phenyl-N'-[5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophen-2-yl]propane-1,3-diamine (PubChem CID 24803959) has the molecular formula C20H20N4S and a molecular weight of 348.48 g/mol. Its IUPAC name is 2-phenyl-N'-[5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophen-2-yl]propane-1,3-diamine.

Molecular Properties

Compound Name2-phenyl-N'-[5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophen-2-yl]propane-1,3-diamine
PubChem CID24803959
Molecular FormulaC20H20N4S
Molecular Weight348.48 g/mol
Exact Mass348.14
IUPAC Name2-phenyl-N'-[5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophen-2-yl]propane-1,3-diamine
SMILESNCC(CNc1ccc(-c2ccnc3[nH]ccc23)s1)c1ccccc1
InChIInChI=1S/C20H20N4S/c21-12-15(14-4-2-1-3-5-14)13-24-19-7-6-18(25-19)16-8-10-22-20-17(16)9-11-23-20/h1-11,15,24H,12-13,21H2,(H,22,23)
InChIKeyYDRKDXNMZVEHNN-UHFFFAOYSA-N
XLogP4.45
TPSA66.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.48
LogP ≤ 54.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N'-[5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophen-2-yl]propane-1,3-diamine?
The IUPAC name of 2-phenyl-N'-[5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophen-2-yl]propane-1,3-diamine (CID 24803959) is 2-phenyl-N'-[5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophen-2-yl]propane-1,3-diamine.
What is the SMILES notation for 2-phenyl-N'-[5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophen-2-yl]propane-1,3-diamine?
The canonical SMILES for 2-phenyl-N'-[5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophen-2-yl]propane-1,3-diamine is NCC(CNc1ccc(-c2ccnc3[nH]ccc23)s1)c1ccccc1.
What is the InChIKey of 2-phenyl-N'-[5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophen-2-yl]propane-1,3-diamine?
The InChIKey is YDRKDXNMZVEHNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4S/c21-12-15(14-4-2-1-3-5-14)13-24-19-7-6-18(25-19)16-8-10-22-20-17(16)9-11-23-20/h1-11,15,24H,12-13,21H2,(H,22,23).
What are the key properties of 2-phenyl-N'-[5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophen-2-yl]propane-1,3-diamine?
2-phenyl-N'-[5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophen-2-yl]propane-1,3-diamine has a molecular weight of 348.48 g/mol, XLogP of 4.45, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N'-[5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophen-2-yl]propane-1,3-diamine is sourced from PubChem (CID 24803959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).