1-[1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]-N-methylmethanamine

C16H21N5 — CID 66412959

IUPAC1-[1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]-N-methylmethanamine
SMILESCCn1nc(C)cc1Cn1cc(CNC)c2cccnc21
InChIInChI=1S/C16H21N5/c1-4-21-14(8-12(2)19-21)11-20-10-13(9-17-3)15-6-5-7-18-16(15)20/h5-8,10,17H,4,9,11H2,1-3H3
InChIKeyUHHXWUZFVKUWMD-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.33
Rot. Bonds5

About 1-[1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]-N-methylmethanamine

1-[1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]-N-methylmethanamine (PubChem CID 66412959) has the molecular formula C16H21N5 and a molecular weight of 283.38 g/mol. Its IUPAC name is 1-[1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]-N-methylmethanamine
PubChem CID66412959
Molecular FormulaC16H21N5
Molecular Weight283.38 g/mol
Exact Mass283.18
IUPAC Name1-[1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]-N-methylmethanamine
SMILESCCn1nc(C)cc1Cn1cc(CNC)c2cccnc21
InChIInChI=1S/C16H21N5/c1-4-21-14(8-12(2)19-21)11-20-10-13(9-17-3)15-6-5-7-18-16(15)20/h5-8,10,17H,4,9,11H2,1-3H3
InChIKeyUHHXWUZFVKUWMD-UHFFFAOYSA-N
XLogP2.33
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 ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]-N-methylmethanamine (CID 66412959) is 1-[1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]-N-methylmethanamine is CCn1nc(C)cc1Cn1cc(CNC)c2cccnc21.
What is the InChIKey of 1-[1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]-N-methylmethanamine?
The InChIKey is UHHXWUZFVKUWMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5/c1-4-21-14(8-12(2)19-21)11-20-10-13(9-17-3)15-6-5-7-18-16(15)20/h5-8,10,17H,4,9,11H2,1-3H3.
What are the key properties of 1-[1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]-N-methylmethanamine?
1-[1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]-N-methylmethanamine has a molecular weight of 283.38 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]-N-methylmethanamine is sourced from PubChem (CID 66412959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).