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

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Related Compounds

1,3-bis[ethyl(1H-indol-5-ylmethyl)amino]propan-2-ol
CID 166234381
N-(1H-indol-5-ylmethyl)-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine
CID 119044837
N-(1H-indol-5-ylmethyl)-N-[[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine
CID 119044757
N-(1H-indol-5-ylmethyl)-3,5-dimethyl-1H-pyrazol-4-amine
CID 102909486
N-(3-acetamidophenyl)-2-[ethyl(1H-indol-5-ylmethyl)amino]acetamide
CID 119044841
N'-ethyl-N'-(1H-indol-6-ylmethyl)ethane-1,2-diamine
CID 103102150
N,N-diethylethanamine;N-methyl-1H-indol-5-amine
CID 142890112
5-(1H-imidazol-2-ylmethyl)-1H-indole
CID 66707386
5-(ethylsulfonylmethyl)-1H-indole
CID 67811404
2-(1H-indol-5-yl)-N-methylethanamine
CID 82374641
5-ethyl-3-methyl-2H-pyrazolo[3,4-b]pyridine;2-ethyl-7-methyl-5H-pyrrolo[2,3-b]pyrazine;5-ethyl-3-methyl-1H-pyrrolo[2,3-b]pyridine
CID 162232732
N-ethyl-N-(1H-indol-5-ylmethyl)-4-oxochromene-7-carboxamide
CID 166232631

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).