N-[(3-tert-butyl-1-methylpyrazolo[5,4-b]pyridin-5-yl)methyl]ethanamine

C14H22N4 — CID 63771712

IUPACN-[(3-tert-butyl-1-methylpyrazolo[5,4-b]pyridin-5-yl)methyl]ethanamine
SMILESCCNCc1cnc2c(c1)c(C(C)(C)C)nn2C
InChIInChI=1S/C14H22N4/c1-6-15-8-10-7-11-12(14(2,3)4)17-18(5)13(11)16-9-10/h7,9,15H,6,8H2,1-5H3
InChIKeyUJPTUVOMJISNNG-UHFFFAOYSA-N
MW246.36 g/mol
LogP2.38
Rot. Bonds3

About N-[(3-tert-butyl-1-methylpyrazolo[5,4-b]pyridin-5-yl)methyl]ethanamine

N-[(3-tert-butyl-1-methylpyrazolo[5,4-b]pyridin-5-yl)methyl]ethanamine (PubChem CID 63771712) has the molecular formula C14H22N4 and a molecular weight of 246.36 g/mol. Its IUPAC name is N-[(3-tert-butyl-1-methylpyrazolo[5,4-b]pyridin-5-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-tert-butyl-1-methylpyrazolo[5,4-b]pyridin-5-yl)methyl]ethanamine
PubChem CID63771712
Molecular FormulaC14H22N4
Molecular Weight246.36 g/mol
Exact Mass246.18
IUPAC NameN-[(3-tert-butyl-1-methylpyrazolo[5,4-b]pyridin-5-yl)methyl]ethanamine
SMILESCCNCc1cnc2c(c1)c(C(C)(C)C)nn2C
InChIInChI=1S/C14H22N4/c1-6-15-8-10-7-11-12(14(2,3)4)17-18(5)13(11)16-9-10/h7,9,15H,6,8H2,1-5H3
InChIKeyUJPTUVOMJISNNG-UHFFFAOYSA-N
XLogP2.38
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3-tert-butyl-1-methylpyrazolo[5,4-b]pyridin-5-yl)methyl]ethanamine?
The IUPAC name of N-[(3-tert-butyl-1-methylpyrazolo[5,4-b]pyridin-5-yl)methyl]ethanamine (CID 63771712) is N-[(3-tert-butyl-1-methylpyrazolo[5,4-b]pyridin-5-yl)methyl]ethanamine.
What is the SMILES notation for N-[(3-tert-butyl-1-methylpyrazolo[5,4-b]pyridin-5-yl)methyl]ethanamine?
The canonical SMILES for N-[(3-tert-butyl-1-methylpyrazolo[5,4-b]pyridin-5-yl)methyl]ethanamine is CCNCc1cnc2c(c1)c(C(C)(C)C)nn2C.
What is the InChIKey of N-[(3-tert-butyl-1-methylpyrazolo[5,4-b]pyridin-5-yl)methyl]ethanamine?
The InChIKey is UJPTUVOMJISNNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4/c1-6-15-8-10-7-11-12(14(2,3)4)17-18(5)13(11)16-9-10/h7,9,15H,6,8H2,1-5H3.
What are the key properties of N-[(3-tert-butyl-1-methylpyrazolo[5,4-b]pyridin-5-yl)methyl]ethanamine?
N-[(3-tert-butyl-1-methylpyrazolo[5,4-b]pyridin-5-yl)methyl]ethanamine has a molecular weight of 246.36 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-tert-butyl-1-methylpyrazolo[5,4-b]pyridin-5-yl)methyl]ethanamine is sourced from PubChem (CID 63771712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).