N-(4-tert-butylphenyl)-5-methyl-1H-pyrazolo[4,3-b]pyridin-7-amine;hydrochloride

C17H21ClN4 — CID 44522796

IUPACN-(4-tert-butylphenyl)-5-methyl-1H-pyrazolo[4,3-b]pyridin-7-amine;hydrochloride
SMILESCc1cc(Nc2ccc(C(C)(C)C)cc2)c2[nH]ncc2n1.Cl
InChIInChI=1S/C17H20N4.ClH/c1-11-9-14(16-15(19-11)10-18-21-16)20-13-7-5-12(6-8-13)17(2,3)4;/h5-10H,1-4H3,(H,18,21)(H,19,20);1H
InChIKeyOJBIHMADTLIGFL-UHFFFAOYSA-N
MW316.84 g/mol
LogP4.73
Rot. Bonds2

About N-(4-tert-butylphenyl)-5-methyl-1H-pyrazolo[4,3-b]pyridin-7-amine;hydrochloride

N-(4-tert-butylphenyl)-5-methyl-1H-pyrazolo[4,3-b]pyridin-7-amine;hydrochloride (PubChem CID 44522796) has the molecular formula C17H21ClN4 and a molecular weight of 316.84 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-5-methyl-1H-pyrazolo[4,3-b]pyridin-7-amine;hydrochloride.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-5-methyl-1H-pyrazolo[4,3-b]pyridin-7-amine;hydrochloride
PubChem CID44522796
Molecular FormulaC17H21ClN4
Molecular Weight316.84 g/mol
Exact Mass316.15
IUPAC NameN-(4-tert-butylphenyl)-5-methyl-1H-pyrazolo[4,3-b]pyridin-7-amine;hydrochloride
SMILESCc1cc(Nc2ccc(C(C)(C)C)cc2)c2[nH]ncc2n1.Cl
InChIInChI=1S/C17H20N4.ClH/c1-11-9-14(16-15(19-11)10-18-21-16)20-13-7-5-12(6-8-13)17(2,3)4;/h5-10H,1-4H3,(H,18,21)(H,19,20);1H
InChIKeyOJBIHMADTLIGFL-UHFFFAOYSA-N
XLogP4.73
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.84
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-5-methyl-1H-pyrazolo[4,3-b]pyridin-7-amine;hydrochloride?
The IUPAC name of N-(4-tert-butylphenyl)-5-methyl-1H-pyrazolo[4,3-b]pyridin-7-amine;hydrochloride (CID 44522796) is N-(4-tert-butylphenyl)-5-methyl-1H-pyrazolo[4,3-b]pyridin-7-amine;hydrochloride.
What is the SMILES notation for N-(4-tert-butylphenyl)-5-methyl-1H-pyrazolo[4,3-b]pyridin-7-amine;hydrochloride?
The canonical SMILES for N-(4-tert-butylphenyl)-5-methyl-1H-pyrazolo[4,3-b]pyridin-7-amine;hydrochloride is Cc1cc(Nc2ccc(C(C)(C)C)cc2)c2[nH]ncc2n1.Cl.
What is the InChIKey of N-(4-tert-butylphenyl)-5-methyl-1H-pyrazolo[4,3-b]pyridin-7-amine;hydrochloride?
The InChIKey is OJBIHMADTLIGFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4.ClH/c1-11-9-14(16-15(19-11)10-18-21-16)20-13-7-5-12(6-8-13)17(2,3)4;/h5-10H,1-4H3,(H,18,21)(H,19,20);1H.
What are the key properties of N-(4-tert-butylphenyl)-5-methyl-1H-pyrazolo[4,3-b]pyridin-7-amine;hydrochloride?
N-(4-tert-butylphenyl)-5-methyl-1H-pyrazolo[4,3-b]pyridin-7-amine;hydrochloride has a molecular weight of 316.84 g/mol, XLogP of 4.73, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-5-methyl-1H-pyrazolo[4,3-b]pyridin-7-amine;hydrochloride is sourced from PubChem (CID 44522796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).