N-(1H-indol-5-ylmethyl)-N-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)methyl]ethanamine

C19H21N5 — CID 166219079

IUPACN-(1H-indol-5-ylmethyl)-N-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)methyl]ethanamine
SMILESCCN(Cc1ccc2[nH]ccc2c1)Cc1cnc2n[nH]c(C)c2c1
InChIInChI=1S/C19H21N5/c1-3-24(11-14-4-5-18-16(8-14)6-7-20-18)12-15-9-17-13(2)22-23-19(17)21-10-15/h4-10,20H,3,11-12H2,1-2H3,(H,21,22,23)
InChIKeyRJSUPAKWOKBMOR-UHFFFAOYSA-N
MW319.41 g/mol
LogP3.77
Rot. Bonds5

About N-(1H-indol-5-ylmethyl)-N-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)methyl]ethanamine

N-(1H-indol-5-ylmethyl)-N-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)methyl]ethanamine (PubChem CID 166219079) has the molecular formula C19H21N5 and a molecular weight of 319.41 g/mol. Its IUPAC name is N-(1H-indol-5-ylmethyl)-N-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-(1H-indol-5-ylmethyl)-N-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)methyl]ethanamine
PubChem CID166219079
Molecular FormulaC19H21N5
Molecular Weight319.41 g/mol
Exact Mass319.18
IUPAC NameN-(1H-indol-5-ylmethyl)-N-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)methyl]ethanamine
SMILESCCN(Cc1ccc2[nH]ccc2c1)Cc1cnc2n[nH]c(C)c2c1
InChIInChI=1S/C19H21N5/c1-3-24(11-14-4-5-18-16(8-14)6-7-20-18)12-15-9-17-13(2)22-23-19(17)21-10-15/h4-10,20H,3,11-12H2,1-2H3,(H,21,22,23)
InChIKeyRJSUPAKWOKBMOR-UHFFFAOYSA-N
XLogP3.77
TPSA60.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(1H-indol-5-ylmethyl)-N-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)methyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-5-ylmethyl)-N-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)methyl]ethanamine?
The IUPAC name of N-(1H-indol-5-ylmethyl)-N-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)methyl]ethanamine (CID 166219079) is N-(1H-indol-5-ylmethyl)-N-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)methyl]ethanamine.
What is the SMILES notation for N-(1H-indol-5-ylmethyl)-N-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)methyl]ethanamine?
The canonical SMILES for N-(1H-indol-5-ylmethyl)-N-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)methyl]ethanamine is CCN(Cc1ccc2[nH]ccc2c1)Cc1cnc2n[nH]c(C)c2c1.
What is the InChIKey of N-(1H-indol-5-ylmethyl)-N-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)methyl]ethanamine?
The InChIKey is RJSUPAKWOKBMOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5/c1-3-24(11-14-4-5-18-16(8-14)6-7-20-18)12-15-9-17-13(2)22-23-19(17)21-10-15/h4-10,20H,3,11-12H2,1-2H3,(H,21,22,23).
What are the key properties of N-(1H-indol-5-ylmethyl)-N-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)methyl]ethanamine?
N-(1H-indol-5-ylmethyl)-N-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)methyl]ethanamine has a molecular weight of 319.41 g/mol, XLogP of 3.77, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indol-5-ylmethyl)-N-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)methyl]ethanamine is sourced from PubChem (CID 166219079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).