N-[(5-chlorofuran-2-yl)methyl]-1,3-dimethylpyrazolo[5,4-b]pyridin-5-amine

C13H13ClN4O — CID 60780857

IUPACN-[(5-chlorofuran-2-yl)methyl]-1,3-dimethylpyrazolo[5,4-b]pyridin-5-amine
SMILESCc1nn(C)c2ncc(NCc3ccc(Cl)o3)cc12
InChIInChI=1S/C13H13ClN4O/c1-8-11-5-9(6-16-13(11)18(2)17-8)15-7-10-3-4-12(14)19-10/h3-6,15H,7H2,1-2H3
InChIKeyGLNWWOFHZRTDFV-UHFFFAOYSA-N
MW276.73 g/mol
LogP3.14
Rot. Bonds3

About N-[(5-chlorofuran-2-yl)methyl]-1,3-dimethylpyrazolo[5,4-b]pyridin-5-amine

N-[(5-chlorofuran-2-yl)methyl]-1,3-dimethylpyrazolo[5,4-b]pyridin-5-amine (PubChem CID 60780857) has the molecular formula C13H13ClN4O and a molecular weight of 276.73 g/mol. Its IUPAC name is N-[(5-chlorofuran-2-yl)methyl]-1,3-dimethylpyrazolo[5,4-b]pyridin-5-amine.

Molecular Properties

Compound NameN-[(5-chlorofuran-2-yl)methyl]-1,3-dimethylpyrazolo[5,4-b]pyridin-5-amine
PubChem CID60780857
Molecular FormulaC13H13ClN4O
Molecular Weight276.73 g/mol
Exact Mass276.08
IUPAC NameN-[(5-chlorofuran-2-yl)methyl]-1,3-dimethylpyrazolo[5,4-b]pyridin-5-amine
SMILESCc1nn(C)c2ncc(NCc3ccc(Cl)o3)cc12
InChIInChI=1S/C13H13ClN4O/c1-8-11-5-9(6-16-13(11)18(2)17-8)15-7-10-3-4-12(14)19-10/h3-6,15H,7H2,1-2H3
InChIKeyGLNWWOFHZRTDFV-UHFFFAOYSA-N
XLogP3.14
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.73
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(5-ethylfuran-2-yl)methyl]-1,3-dimethylpyrazolo[5,4-b]pyridin-5-amine
CID 62344911
1,3-dimethyl-N-(1,3-thiazol-5-ylmethyl)pyrazolo[5,4-b]pyridin-5-amine
CID 62759821
1,3-dimethyl-N-[(2-methylphenyl)methyl]pyrazolo[5,4-b]pyridin-5-amine
CID 43725573
1,3-dimethyl-N-[(1-methylimidazol-2-yl)methyl]pyrazolo[5,4-b]pyridin-5-amine
CID 62356069
N-[(4-bromo-2-fluorophenyl)methyl]-1,3-dimethylpyrazolo[5,4-b]pyridin-5-amine
CID 43725626
4-chloro-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]aniline
CID 62404398
3-[[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)amino]methyl]benzene-1,2-diol
CID 61319914
N-[(2,3-difluorophenyl)methyl]-1,3-dimethylpyrazolo[5,4-b]pyridin-5-amine
CID 63668922
N-(1H-imidazol-5-ylmethyl)-1,3-dimethylpyrazolo[5,4-b]pyridin-5-amine
CID 62761757
1,3-dimethyl-N-(2-phenylethyl)pyrazolo[5,4-b]pyridin-5-amine
CID 43725592
1,3-dimethyl-N-(2-phenylpropyl)pyrazolo[5,4-b]pyridin-5-amine
CID 43725542
N-[[3-(2-methoxyethoxy)phenyl]methyl]-1,3-dimethylpyrazolo[5,4-b]pyridin-5-amine
CID 75400539

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorofuran-2-yl)methyl]-1,3-dimethylpyrazolo[5,4-b]pyridin-5-amine?
The IUPAC name of N-[(5-chlorofuran-2-yl)methyl]-1,3-dimethylpyrazolo[5,4-b]pyridin-5-amine (CID 60780857) is N-[(5-chlorofuran-2-yl)methyl]-1,3-dimethylpyrazolo[5,4-b]pyridin-5-amine.
What is the SMILES notation for N-[(5-chlorofuran-2-yl)methyl]-1,3-dimethylpyrazolo[5,4-b]pyridin-5-amine?
The canonical SMILES for N-[(5-chlorofuran-2-yl)methyl]-1,3-dimethylpyrazolo[5,4-b]pyridin-5-amine is Cc1nn(C)c2ncc(NCc3ccc(Cl)o3)cc12.
What is the InChIKey of N-[(5-chlorofuran-2-yl)methyl]-1,3-dimethylpyrazolo[5,4-b]pyridin-5-amine?
The InChIKey is GLNWWOFHZRTDFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN4O/c1-8-11-5-9(6-16-13(11)18(2)17-8)15-7-10-3-4-12(14)19-10/h3-6,15H,7H2,1-2H3.
What are the key properties of N-[(5-chlorofuran-2-yl)methyl]-1,3-dimethylpyrazolo[5,4-b]pyridin-5-amine?
N-[(5-chlorofuran-2-yl)methyl]-1,3-dimethylpyrazolo[5,4-b]pyridin-5-amine has a molecular weight of 276.73 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorofuran-2-yl)methyl]-1,3-dimethylpyrazolo[5,4-b]pyridin-5-amine is sourced from PubChem (CID 60780857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).