N-[[1-[(2,5-dimethylpyrazol-3-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methyl]ethanamine

C16H21N5 — CID 66413572

IUPACN-[[1-[(2,5-dimethylpyrazol-3-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methyl]ethanamine
SMILESCCNCc1cn(Cc2cc(C)nn2C)c2ncccc12
InChIInChI=1S/C16H21N5/c1-4-17-9-13-10-21(16-15(13)6-5-7-18-16)11-14-8-12(2)19-20(14)3/h5-8,10,17H,4,9,11H2,1-3H3
InChIKeyPIFBVGIGDXMEMY-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.24
Rot. Bonds5

About N-[[1-[(2,5-dimethylpyrazol-3-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methyl]ethanamine

N-[[1-[(2,5-dimethylpyrazol-3-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methyl]ethanamine (PubChem CID 66413572) has the molecular formula C16H21N5 and a molecular weight of 283.38 g/mol. Its IUPAC name is N-[[1-[(2,5-dimethylpyrazol-3-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-[(2,5-dimethylpyrazol-3-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methyl]ethanamine
PubChem CID66413572
Molecular FormulaC16H21N5
Molecular Weight283.38 g/mol
Exact Mass283.18
IUPAC NameN-[[1-[(2,5-dimethylpyrazol-3-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methyl]ethanamine
SMILESCCNCc1cn(Cc2cc(C)nn2C)c2ncccc12
InChIInChI=1S/C16H21N5/c1-4-17-9-13-10-21(16-15(13)6-5-7-18-16)11-14-8-12(2)19-20(14)3/h5-8,10,17H,4,9,11H2,1-3H3
InChIKeyPIFBVGIGDXMEMY-UHFFFAOYSA-N
XLogP2.24
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2,5-dimethylpyrazol-3-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methyl]ethanamine?
The IUPAC name of N-[[1-[(2,5-dimethylpyrazol-3-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methyl]ethanamine (CID 66413572) is N-[[1-[(2,5-dimethylpyrazol-3-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-[(2,5-dimethylpyrazol-3-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-[(2,5-dimethylpyrazol-3-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methyl]ethanamine is CCNCc1cn(Cc2cc(C)nn2C)c2ncccc12.
What is the InChIKey of N-[[1-[(2,5-dimethylpyrazol-3-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methyl]ethanamine?
The InChIKey is PIFBVGIGDXMEMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5/c1-4-17-9-13-10-21(16-15(13)6-5-7-18-16)11-14-8-12(2)19-20(14)3/h5-8,10,17H,4,9,11H2,1-3H3.
What are the key properties of N-[[1-[(2,5-dimethylpyrazol-3-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methyl]ethanamine?
N-[[1-[(2,5-dimethylpyrazol-3-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methyl]ethanamine has a molecular weight of 283.38 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2,5-dimethylpyrazol-3-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methyl]ethanamine is sourced from PubChem (CID 66413572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).