N,N,2-trimethyl-3-[3-(5-thiophen-3-yl-3-pyridinyl)pyrrolo[3,2-b]pyridin-1-yl]propan-1-amine

C22H24N4S — CID 70244963

IUPACN,N,2-trimethyl-3-[3-(5-thiophen-3-yl-3-pyridinyl)pyrrolo[3,2-b]pyridin-1-yl]propan-1-amine
SMILESCC(CN(C)C)Cn1cc(-c2cncc(-c3ccsc3)c2)c2ncccc21
InChIInChI=1S/C22H24N4S/c1-16(12-25(2)3)13-26-14-20(22-21(26)5-4-7-24-22)19-9-18(10-23-11-19)17-6-8-27-15-17/h4-11,14-16H,12-13H2,1-3H3
InChIKeyZDYMOIXQXFPMTR-UHFFFAOYSA-N
MW376.53 g/mol
LogP5.02
Rot. Bonds6

About N,N,2-trimethyl-3-[3-(5-thiophen-3-yl-3-pyridinyl)pyrrolo[3,2-b]pyridin-1-yl]propan-1-amine

N,N,2-trimethyl-3-[3-(5-thiophen-3-yl-3-pyridinyl)pyrrolo[3,2-b]pyridin-1-yl]propan-1-amine (PubChem CID 70244963) has the molecular formula C22H24N4S and a molecular weight of 376.53 g/mol. Its IUPAC name is N,N,2-trimethyl-3-[3-(5-thiophen-3-yl-3-pyridinyl)pyrrolo[3,2-b]pyridin-1-yl]propan-1-amine.

Molecular Properties

Compound NameN,N,2-trimethyl-3-[3-(5-thiophen-3-yl-3-pyridinyl)pyrrolo[3,2-b]pyridin-1-yl]propan-1-amine
PubChem CID70244963
Molecular FormulaC22H24N4S
Molecular Weight376.53 g/mol
Exact Mass376.17
IUPAC NameN,N,2-trimethyl-3-[3-(5-thiophen-3-yl-3-pyridinyl)pyrrolo[3,2-b]pyridin-1-yl]propan-1-amine
SMILESCC(CN(C)C)Cn1cc(-c2cncc(-c3ccsc3)c2)c2ncccc21
InChIInChI=1S/C22H24N4S/c1-16(12-25(2)3)13-26-14-20(22-21(26)5-4-7-24-22)19-9-18(10-23-11-19)17-6-8-27-15-17/h4-11,14-16H,12-13H2,1-3H3
InChIKeyZDYMOIXQXFPMTR-UHFFFAOYSA-N
XLogP5.02
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.53
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N,N,2-trimethyl-3-[3-(5-thiophen-3-yl-3-pyridinyl)pyrrolo[3,2-b]pyridin-1-yl]propan-1-amine?
The IUPAC name of N,N,2-trimethyl-3-[3-(5-thiophen-3-yl-3-pyridinyl)pyrrolo[3,2-b]pyridin-1-yl]propan-1-amine (CID 70244963) is N,N,2-trimethyl-3-[3-(5-thiophen-3-yl-3-pyridinyl)pyrrolo[3,2-b]pyridin-1-yl]propan-1-amine.
What is the SMILES notation for N,N,2-trimethyl-3-[3-(5-thiophen-3-yl-3-pyridinyl)pyrrolo[3,2-b]pyridin-1-yl]propan-1-amine?
The canonical SMILES for N,N,2-trimethyl-3-[3-(5-thiophen-3-yl-3-pyridinyl)pyrrolo[3,2-b]pyridin-1-yl]propan-1-amine is CC(CN(C)C)Cn1cc(-c2cncc(-c3ccsc3)c2)c2ncccc21.
What is the InChIKey of N,N,2-trimethyl-3-[3-(5-thiophen-3-yl-3-pyridinyl)pyrrolo[3,2-b]pyridin-1-yl]propan-1-amine?
The InChIKey is ZDYMOIXQXFPMTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4S/c1-16(12-25(2)3)13-26-14-20(22-21(26)5-4-7-24-22)19-9-18(10-23-11-19)17-6-8-27-15-17/h4-11,14-16H,12-13H2,1-3H3.
What are the key properties of N,N,2-trimethyl-3-[3-(5-thiophen-3-yl-3-pyridinyl)pyrrolo[3,2-b]pyridin-1-yl]propan-1-amine?
N,N,2-trimethyl-3-[3-(5-thiophen-3-yl-3-pyridinyl)pyrrolo[3,2-b]pyridin-1-yl]propan-1-amine has a molecular weight of 376.53 g/mol, XLogP of 5.02, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,2-trimethyl-3-[3-(5-thiophen-3-yl-3-pyridinyl)pyrrolo[3,2-b]pyridin-1-yl]propan-1-amine is sourced from PubChem (CID 70244963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).