N,N,3-trimethyl-1-(pyridin-2-ylmethyl)pyrazolo[3,4-b]quinolin-4-amine

C19H19N5 — CID 22320313

IUPACN,N,3-trimethyl-1-(pyridin-2-ylmethyl)pyrazolo[3,4-b]quinolin-4-amine
SMILESCc1nn(Cc2ccccn2)c2nc3ccccc3c(N(C)C)c12
InChIInChI=1S/C19H19N5/c1-13-17-18(23(2)3)15-9-4-5-10-16(15)21-19(17)24(22-13)12-14-8-6-7-11-20-14/h4-11H,12H2,1-3H3
InChIKeyHDBRWAZIXUJWPC-UHFFFAOYSA-N
MW317.40 g/mol
LogP3.40
Rot. Bonds3

About N,N,3-trimethyl-1-(pyridin-2-ylmethyl)pyrazolo[3,4-b]quinolin-4-amine

N,N,3-trimethyl-1-(pyridin-2-ylmethyl)pyrazolo[3,4-b]quinolin-4-amine (PubChem CID 22320313) has the molecular formula C19H19N5 and a molecular weight of 317.40 g/mol. Its IUPAC name is N,N,3-trimethyl-1-(pyridin-2-ylmethyl)pyrazolo[3,4-b]quinolin-4-amine.

Molecular Properties

Compound NameN,N,3-trimethyl-1-(pyridin-2-ylmethyl)pyrazolo[3,4-b]quinolin-4-amine
PubChem CID22320313
Molecular FormulaC19H19N5
Molecular Weight317.40 g/mol
Exact Mass317.16
IUPAC NameN,N,3-trimethyl-1-(pyridin-2-ylmethyl)pyrazolo[3,4-b]quinolin-4-amine
SMILESCc1nn(Cc2ccccn2)c2nc3ccccc3c(N(C)C)c12
InChIInChI=1S/C19H19N5/c1-13-17-18(23(2)3)15-9-4-5-10-16(15)21-19(17)24(22-13)12-14-8-6-7-11-20-14/h4-11H,12H2,1-3H3
InChIKeyHDBRWAZIXUJWPC-UHFFFAOYSA-N
XLogP3.40
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.40
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-1-(pyridin-2-ylmethyl)-9H-pyrazolo[5,4-b]quinolin-4-one
CID 135848128
2-[(3,5-dimethylpyrazol-1-yl)methyl]pyridine
CID 12988154
4-methyl-6-(pyridin-2-ylmethyl)thieno[2,3-d]pyridazin-7-one
CID 166400154
5-cyclopropyl-2-(pyridin-2-ylmethyl)-[1,2,4]triazolo[4,3-c]quinazolin-3-one
CID 95807645
4-methyl-1-phenyl-6-(pyridin-2-ylmethyl)pyrazolo[4,5-d]pyridazin-7-one
CID 16846184
2-(aminomethyl)-N,N,3-trimethylquinolin-4-amine
CID 82241858
5-methyl-2-(pyridin-2-ylmethyl)pyrazole-3-carboxylic acid
CID 83534624
N',N'-diethyl-N-(3-methyl-1-propylpyrazolo[3,4-b]quinolin-4-yl)ethane-1,2-diamine;dihydrochloride
CID 45052613
4-chloro-3-methyl-1-pyridin-4-ylpyrazolo[3,4-b]quinoline
CID 22320203
2-methyl-N-(pyridin-2-ylmethyl)quinazolin-4-amine chloride
CID 53346777
N-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methyl]-1-(pyridin-2-ylmethyl)piperidin-4-amine
CID 51105129
2-[(4-ethenylphenyl)methylsulfanyl]-3-(pyridin-2-ylmethyl)quinazolin-4-one
CID 51365692

Frequently Asked Questions

What is the IUPAC name of N,N,3-trimethyl-1-(pyridin-2-ylmethyl)pyrazolo[3,4-b]quinolin-4-amine?
The IUPAC name of N,N,3-trimethyl-1-(pyridin-2-ylmethyl)pyrazolo[3,4-b]quinolin-4-amine (CID 22320313) is N,N,3-trimethyl-1-(pyridin-2-ylmethyl)pyrazolo[3,4-b]quinolin-4-amine.
What is the SMILES notation for N,N,3-trimethyl-1-(pyridin-2-ylmethyl)pyrazolo[3,4-b]quinolin-4-amine?
The canonical SMILES for N,N,3-trimethyl-1-(pyridin-2-ylmethyl)pyrazolo[3,4-b]quinolin-4-amine is Cc1nn(Cc2ccccn2)c2nc3ccccc3c(N(C)C)c12.
What is the InChIKey of N,N,3-trimethyl-1-(pyridin-2-ylmethyl)pyrazolo[3,4-b]quinolin-4-amine?
The InChIKey is HDBRWAZIXUJWPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5/c1-13-17-18(23(2)3)15-9-4-5-10-16(15)21-19(17)24(22-13)12-14-8-6-7-11-20-14/h4-11H,12H2,1-3H3.
What are the key properties of N,N,3-trimethyl-1-(pyridin-2-ylmethyl)pyrazolo[3,4-b]quinolin-4-amine?
N,N,3-trimethyl-1-(pyridin-2-ylmethyl)pyrazolo[3,4-b]quinolin-4-amine has a molecular weight of 317.40 g/mol, XLogP of 3.40, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,3-trimethyl-1-(pyridin-2-ylmethyl)pyrazolo[3,4-b]quinolin-4-amine is sourced from PubChem (CID 22320313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).