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

C9H11ClN4 — CID 130652726

IUPAC(6-chloro-1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methanamine
SMILESCc1nn(C)c2nc(Cl)c(CN)cc12
InChIInChI=1S/C9H11ClN4/c1-5-7-3-6(4-11)8(10)12-9(7)14(2)13-5/h3H,4,11H2,1-2H3
InChIKeyPMMDQZWGBDBVON-UHFFFAOYSA-N
MW210.67 g/mol
LogP1.39
Rot. Bonds1

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

(6-chloro-1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methanamine (PubChem CID 130652726) has the molecular formula C9H11ClN4 and a molecular weight of 210.67 g/mol. Its IUPAC name is (6-chloro-1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methanamine.

Molecular Properties

Compound Name(6-chloro-1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methanamine
PubChem CID130652726
Molecular FormulaC9H11ClN4
Molecular Weight210.67 g/mol
Exact Mass210.07
IUPAC Name(6-chloro-1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methanamine
SMILESCc1nn(C)c2nc(Cl)c(CN)cc12
InChIInChI=1S/C9H11ClN4/c1-5-7-3-6(4-11)8(10)12-9(7)14(2)13-5/h3H,4,11H2,1-2H3
InChIKeyPMMDQZWGBDBVON-UHFFFAOYSA-N
XLogP1.39
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.67
LogP ≤ 51.39
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

(1,3,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)methanamine
CID 82504722
(6-chloro-1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methanol
CID 82036391
1-(6-chloro-1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-N-methylmethanamine
CID 115595676
1-[(6-chloro-1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-3-phenylpyrrolidin-3-amine
CID 166267444
N-[(6-chloro-1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-1-(1-ethylpyrrolidin-2-yl)methanamine
CID 47075694
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
(E)-4-(6-chloro-1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-N-propylbut-3-en-2-amine
CID 103092834
2-amino-1-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)ethanol
CID 83882843
1,3,5-trimethylpyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 125424717
ethane;1,3,6-trimethylpyrazolo[5,4-b]pyridine
CID 177008769
5-(aminomethyl)-3-chloro-6-methylpyridin-2-amine
CID 118665237

Frequently Asked Questions

What is the IUPAC name of (6-chloro-1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methanamine?
The IUPAC name of (6-chloro-1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methanamine (CID 130652726) is (6-chloro-1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methanamine.
What is the SMILES notation for (6-chloro-1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methanamine?
The canonical SMILES for (6-chloro-1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methanamine is Cc1nn(C)c2nc(Cl)c(CN)cc12.
What is the InChIKey of (6-chloro-1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methanamine?
The InChIKey is PMMDQZWGBDBVON-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN4/c1-5-7-3-6(4-11)8(10)12-9(7)14(2)13-5/h3H,4,11H2,1-2H3.
What are the key properties of (6-chloro-1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methanamine?
(6-chloro-1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methanamine has a molecular weight of 210.67 g/mol, XLogP of 1.39, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methanamine is sourced from PubChem (CID 130652726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).