N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1,3-dimethylpyrazolo[5,4-b]pyridin-5-amine

C16H20N4 — CID 43787087

IUPACN-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1,3-dimethylpyrazolo[5,4-b]pyridin-5-amine
SMILESCc1nn(C)c2ncc(NCC3CC4C=CC3C4)cc12
InChIInChI=1S/C16H20N4/c1-10-15-7-14(9-18-16(15)20(2)19-10)17-8-13-6-11-3-4-12(13)5-11/h3-4,7,9,11-13,17H,5-6,8H2,1-2H3
InChIKeyXIKXAFGRXJEAFR-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.90
Rot. Bonds3

About N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1,3-dimethylpyrazolo[5,4-b]pyridin-5-amine

N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1,3-dimethylpyrazolo[5,4-b]pyridin-5-amine (PubChem CID 43787087) has the molecular formula C16H20N4 and a molecular weight of 268.36 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1,3-dimethylpyrazolo[5,4-b]pyridin-5-amine.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1,3-dimethylpyrazolo[5,4-b]pyridin-5-amine
PubChem CID43787087
Molecular FormulaC16H20N4
Molecular Weight268.36 g/mol
Exact Mass268.17
IUPAC NameN-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1,3-dimethylpyrazolo[5,4-b]pyridin-5-amine
SMILESCc1nn(C)c2ncc(NCC3CC4C=CC3C4)cc12
InChIInChI=1S/C16H20N4/c1-10-15-7-14(9-18-16(15)20(2)19-10)17-8-13-6-11-3-4-12(13)5-11/h3-4,7,9,11-13,17H,5-6,8H2,1-2H3
InChIKeyXIKXAFGRXJEAFR-UHFFFAOYSA-N
XLogP2.90
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1,3-dimethylpyrazolo[5,4-b]pyridin-5-amine with MolForge

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Related Compounds

1,3-dimethyl-N-(piperidin-2-ylmethyl)pyrazolo[5,4-b]pyridin-5-amine
CID 106633425
N-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridin-5-amine
CID 103439052
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1,3-dimethylpyrazol-4-amine
CID 103866865
N-(1H-imidazol-5-ylmethyl)-1,3-dimethylpyrazolo[5,4-b]pyridin-5-amine
CID 62761757
N-(3-ethoxy-2,2-dimethylcyclobutyl)-1,3-dimethylpyrazolo[5,4-b]pyridin-5-amine
CID 64850742
1,3-dimethyl-N-(1,3-thiazol-5-ylmethyl)pyrazolo[5,4-b]pyridin-5-amine
CID 62759821
1,3-dimethyl-N-(2-methylpentyl)pyrazolo[5,4-b]pyridin-5-amine
CID 43725533
1,3-dimethyl-N-(2-phenylethyl)pyrazolo[5,4-b]pyridin-5-amine
CID 43725592
1,3-dimethyl-N-[(2-methylphenyl)methyl]pyrazolo[5,4-b]pyridin-5-amine
CID 43725573
1,3-dimethyl-N-(3-methylpentan-2-yl)pyrazolo[5,4-b]pyridin-5-amine
CID 43725537
N-(1,5-dimethylpyrrolidin-3-yl)-1,3-dimethylpyrazolo[5,4-b]pyridin-5-amine
CID 81466134
N-[[(1S,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 99732090

Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1,3-dimethylpyrazolo[5,4-b]pyridin-5-amine?
The IUPAC name of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1,3-dimethylpyrazolo[5,4-b]pyridin-5-amine (CID 43787087) is N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1,3-dimethylpyrazolo[5,4-b]pyridin-5-amine.
What is the SMILES notation for N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1,3-dimethylpyrazolo[5,4-b]pyridin-5-amine?
The canonical SMILES for N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1,3-dimethylpyrazolo[5,4-b]pyridin-5-amine is Cc1nn(C)c2ncc(NCC3CC4C=CC3C4)cc12.
What is the InChIKey of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1,3-dimethylpyrazolo[5,4-b]pyridin-5-amine?
The InChIKey is XIKXAFGRXJEAFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4/c1-10-15-7-14(9-18-16(15)20(2)19-10)17-8-13-6-11-3-4-12(13)5-11/h3-4,7,9,11-13,17H,5-6,8H2,1-2H3.
What are the key properties of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1,3-dimethylpyrazolo[5,4-b]pyridin-5-amine?
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1,3-dimethylpyrazolo[5,4-b]pyridin-5-amine has a molecular weight of 268.36 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1,3-dimethylpyrazolo[5,4-b]pyridin-5-amine is sourced from PubChem (CID 43787087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).