1-(6-chloro-1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-N-methylmethanamine

C10H13ClN4 — CID 115595676

IUPAC1-(6-chloro-1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-N-methylmethanamine
SMILESCNCc1cc2c(C)nn(C)c2nc1Cl
InChIInChI=1S/C10H13ClN4/c1-6-8-4-7(5-12-2)9(11)13-10(8)15(3)14-6/h4,12H,5H2,1-3H3
InChIKeyDEUMIBMHWBMPNF-UHFFFAOYSA-N
MW224.69 g/mol
LogP1.65
Rot. Bonds2

About 1-(6-chloro-1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-N-methylmethanamine

1-(6-chloro-1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-N-methylmethanamine (PubChem CID 115595676) has the molecular formula C10H13ClN4 and a molecular weight of 224.69 g/mol. Its IUPAC name is 1-(6-chloro-1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(6-chloro-1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-N-methylmethanamine
PubChem CID115595676
Molecular FormulaC10H13ClN4
Molecular Weight224.69 g/mol
Exact Mass224.08
IUPAC Name1-(6-chloro-1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-N-methylmethanamine
SMILESCNCc1cc2c(C)nn(C)c2nc1Cl
InChIInChI=1S/C10H13ClN4/c1-6-8-4-7(5-12-2)9(11)13-10(8)15(3)14-6/h4,12H,5H2,1-3H3
InChIKeyDEUMIBMHWBMPNF-UHFFFAOYSA-N
XLogP1.65
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.69
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

(6-chloro-1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methanol
CID 82036391
(6-chloro-1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methanamine
CID 130652726
(1,3,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)methanamine
CID 82504722
N-[(6-chloro-1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-1-(1-ethylpyrrolidin-2-yl)methanamine
CID 47075694
1-[(6-chloro-1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-3-phenylpyrrolidin-3-amine
CID 166267444
(E)-4-(6-chloro-1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-N-propylbut-3-en-2-amine
CID 103092834
N-tert-butyl-3-(6-chloro-1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-methylprop-2-en-1-amine
CID 79343834
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[(6-chloro-1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-2-methyltetrazol-5-amine
CID 57486811
1-[3-chloro-4-(1,3,5-trimethylpyrazol-4-yl)oxyphenyl]-N-methylmethanamine
CID 81154804
4-chloro-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]aniline
CID 62404398
1-(2,6-dichloro-3-pyridinyl)-N-methylmethanamine
CID 22450421
1-[5-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1,3-dimethylpyrazol-4-yl]-N-methylmethanamine
CID 63808969

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-N-methylmethanamine?
The IUPAC name of 1-(6-chloro-1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-N-methylmethanamine (CID 115595676) is 1-(6-chloro-1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(6-chloro-1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-N-methylmethanamine?
The canonical SMILES for 1-(6-chloro-1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-N-methylmethanamine is CNCc1cc2c(C)nn(C)c2nc1Cl.
What is the InChIKey of 1-(6-chloro-1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-N-methylmethanamine?
The InChIKey is DEUMIBMHWBMPNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN4/c1-6-8-4-7(5-12-2)9(11)13-10(8)15(3)14-6/h4,12H,5H2,1-3H3.
What are the key properties of 1-(6-chloro-1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-N-methylmethanamine?
1-(6-chloro-1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-N-methylmethanamine has a molecular weight of 224.69 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-N-methylmethanamine is sourced from PubChem (CID 115595676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).