6-[1-(2,2-dimethylpropyl)pyrrolidin-3-yl]-N-(pyridin-2-ylmethyl)-1H-pyrazolo[5,4-b]pyridin-3-amine

C21H28N6 — CID 127251231

IUPAC6-[1-(2,2-dimethylpropyl)pyrrolidin-3-yl]-N-(pyridin-2-ylmethyl)-1H-pyrazolo[5,4-b]pyridin-3-amine
SMILESCC(C)(C)CN1CCC(c2ccc3c(NCc4ccccn4)n[nH]c3n2)C1
InChIInChI=1S/C21H28N6/c1-21(2,3)14-27-11-9-15(13-27)18-8-7-17-19(25-26-20(17)24-18)23-12-16-6-4-5-10-22-16/h4-8,10,15H,9,11-14H2,1-3H3,(H2,23,24,25,26)
InChIKeyAFYDLGBCJAQTIG-UHFFFAOYSA-N
MW364.50 g/mol
LogP3.80
Rot. Bonds5

About 6-[1-(2,2-dimethylpropyl)pyrrolidin-3-yl]-N-(pyridin-2-ylmethyl)-1H-pyrazolo[5,4-b]pyridin-3-amine

6-[1-(2,2-dimethylpropyl)pyrrolidin-3-yl]-N-(pyridin-2-ylmethyl)-1H-pyrazolo[5,4-b]pyridin-3-amine (PubChem CID 127251231) has the molecular formula C21H28N6 and a molecular weight of 364.50 g/mol. Its IUPAC name is 6-[1-(2,2-dimethylpropyl)pyrrolidin-3-yl]-N-(pyridin-2-ylmethyl)-1H-pyrazolo[5,4-b]pyridin-3-amine.

Molecular Properties

Compound Name6-[1-(2,2-dimethylpropyl)pyrrolidin-3-yl]-N-(pyridin-2-ylmethyl)-1H-pyrazolo[5,4-b]pyridin-3-amine
PubChem CID127251231
Molecular FormulaC21H28N6
Molecular Weight364.50 g/mol
Exact Mass364.24
IUPAC Name6-[1-(2,2-dimethylpropyl)pyrrolidin-3-yl]-N-(pyridin-2-ylmethyl)-1H-pyrazolo[5,4-b]pyridin-3-amine
SMILESCC(C)(C)CN1CCC(c2ccc3c(NCc4ccccn4)n[nH]c3n2)C1
InChIInChI=1S/C21H28N6/c1-21(2,3)14-27-11-9-15(13-27)18-8-7-17-19(25-26-20(17)24-18)23-12-16-6-4-5-10-22-16/h4-8,10,15H,9,11-14H2,1-3H3,(H2,23,24,25,26)
InChIKeyAFYDLGBCJAQTIG-UHFFFAOYSA-N
XLogP3.80
TPSA69.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.50
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[1-(2,2-dimethylpropyl)pyrrolidin-3-yl]-N-(pyridin-2-ylmethyl)-1H-pyrazolo[5,4-b]pyridin-3-amine?
The IUPAC name of 6-[1-(2,2-dimethylpropyl)pyrrolidin-3-yl]-N-(pyridin-2-ylmethyl)-1H-pyrazolo[5,4-b]pyridin-3-amine (CID 127251231) is 6-[1-(2,2-dimethylpropyl)pyrrolidin-3-yl]-N-(pyridin-2-ylmethyl)-1H-pyrazolo[5,4-b]pyridin-3-amine.
What is the SMILES notation for 6-[1-(2,2-dimethylpropyl)pyrrolidin-3-yl]-N-(pyridin-2-ylmethyl)-1H-pyrazolo[5,4-b]pyridin-3-amine?
The canonical SMILES for 6-[1-(2,2-dimethylpropyl)pyrrolidin-3-yl]-N-(pyridin-2-ylmethyl)-1H-pyrazolo[5,4-b]pyridin-3-amine is CC(C)(C)CN1CCC(c2ccc3c(NCc4ccccn4)n[nH]c3n2)C1.
What is the InChIKey of 6-[1-(2,2-dimethylpropyl)pyrrolidin-3-yl]-N-(pyridin-2-ylmethyl)-1H-pyrazolo[5,4-b]pyridin-3-amine?
The InChIKey is AFYDLGBCJAQTIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N6/c1-21(2,3)14-27-11-9-15(13-27)18-8-7-17-19(25-26-20(17)24-18)23-12-16-6-4-5-10-22-16/h4-8,10,15H,9,11-14H2,1-3H3,(H2,23,24,25,26).
What are the key properties of 6-[1-(2,2-dimethylpropyl)pyrrolidin-3-yl]-N-(pyridin-2-ylmethyl)-1H-pyrazolo[5,4-b]pyridin-3-amine?
6-[1-(2,2-dimethylpropyl)pyrrolidin-3-yl]-N-(pyridin-2-ylmethyl)-1H-pyrazolo[5,4-b]pyridin-3-amine has a molecular weight of 364.50 g/mol, XLogP of 3.80, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(2,2-dimethylpropyl)pyrrolidin-3-yl]-N-(pyridin-2-ylmethyl)-1H-pyrazolo[5,4-b]pyridin-3-amine is sourced from PubChem (CID 127251231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).