N-[(6-chloro-1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-1-(1-ethylpyrrolidin-2-yl)methanamine

C16H24ClN5 — CID 47075694

IUPACN-[(6-chloro-1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-1-(1-ethylpyrrolidin-2-yl)methanamine
SMILESCCN1CCCC1CNCc1cc2c(C)nn(C)c2nc1Cl
InChIInChI=1S/C16H24ClN5/c1-4-22-7-5-6-13(22)10-18-9-12-8-14-11(2)20-21(3)16(14)19-15(12)17/h8,13,18H,4-7,9-10H2,1-3H3
InChIKeyACIIVDBEESVHTN-UHFFFAOYSA-N
MW321.86 g/mol
LogP2.50
Rot. Bonds5

About N-[(6-chloro-1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-1-(1-ethylpyrrolidin-2-yl)methanamine

N-[(6-chloro-1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-1-(1-ethylpyrrolidin-2-yl)methanamine (PubChem CID 47075694) has the molecular formula C16H24ClN5 and a molecular weight of 321.86 g/mol. Its IUPAC name is N-[(6-chloro-1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-1-(1-ethylpyrrolidin-2-yl)methanamine.

Molecular Properties

Compound NameN-[(6-chloro-1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-1-(1-ethylpyrrolidin-2-yl)methanamine
PubChem CID47075694
Molecular FormulaC16H24ClN5
Molecular Weight321.86 g/mol
Exact Mass321.17
IUPAC NameN-[(6-chloro-1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-1-(1-ethylpyrrolidin-2-yl)methanamine
SMILESCCN1CCCC1CNCc1cc2c(C)nn(C)c2nc1Cl
InChIInChI=1S/C16H24ClN5/c1-4-22-7-5-6-13(22)10-18-9-12-8-14-11(2)20-21(3)16(14)19-15(12)17/h8,13,18H,4-7,9-10H2,1-3H3
InChIKeyACIIVDBEESVHTN-UHFFFAOYSA-N
XLogP2.50
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.86
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-chloro-2-methylphenyl)methyl]-1-(1-ethylpyrrolidin-2-yl)methanamine
CID 113461461
N-[(5-chloro-2-fluorophenyl)methyl]-1-(1-ethylpyrrolidin-2-yl)methanamine
CID 115761462
N-[(5-chloro-1-methylimidazol-2-yl)methyl]-1-(1-ethylpyrrolidin-2-yl)methanamine
CID 43088242
1-[(2S)-1-ethylpyrrolidin-2-yl]-N-[(2-methylphenyl)methyl]methanamine
CID 51627850
N-[(2,5-dimethylphenyl)methyl]-1-(1-ethylpyrrolidin-2-yl)methanamine
CID 60657747
N-[(3,5-dichloro-2-methoxyphenyl)methyl]-1-(1-ethylpyrrolidin-2-yl)methanamine;dihydrochloride
CID 17213687
N-[(2,3-dimethoxy-5-methylphenyl)methyl]-1-(1-ethylpyrrolidin-2-yl)methanamine
CID 18714488
N-[(3,5-dibromo-2-methoxyphenyl)methyl]-1-[(2R)-1-ethylpyrrolidin-2-yl]methanamine
CID 51627828
1-(1-ethylpyrrolidin-2-yl)-N-[(1-methylindazol-3-yl)methyl]methanamine
CID 62999542
(6-chloro-1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methanamine
CID 130652726
N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-[(2R)-1-ethylpyrrolidin-2-yl]methanamine
CID 95319664
N-[(5-bromo-2,3-dimethoxyphenyl)methyl]-1-[(2S)-1-ethylpyrrolidin-2-yl]methanamine
CID 29241963

Frequently Asked Questions

What is the IUPAC name of N-[(6-chloro-1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-1-(1-ethylpyrrolidin-2-yl)methanamine?
The IUPAC name of N-[(6-chloro-1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-1-(1-ethylpyrrolidin-2-yl)methanamine (CID 47075694) is N-[(6-chloro-1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-1-(1-ethylpyrrolidin-2-yl)methanamine.
What is the SMILES notation for N-[(6-chloro-1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-1-(1-ethylpyrrolidin-2-yl)methanamine?
The canonical SMILES for N-[(6-chloro-1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-1-(1-ethylpyrrolidin-2-yl)methanamine is CCN1CCCC1CNCc1cc2c(C)nn(C)c2nc1Cl.
What is the InChIKey of N-[(6-chloro-1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-1-(1-ethylpyrrolidin-2-yl)methanamine?
The InChIKey is ACIIVDBEESVHTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN5/c1-4-22-7-5-6-13(22)10-18-9-12-8-14-11(2)20-21(3)16(14)19-15(12)17/h8,13,18H,4-7,9-10H2,1-3H3.
What are the key properties of N-[(6-chloro-1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-1-(1-ethylpyrrolidin-2-yl)methanamine?
N-[(6-chloro-1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-1-(1-ethylpyrrolidin-2-yl)methanamine has a molecular weight of 321.86 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-chloro-1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-1-(1-ethylpyrrolidin-2-yl)methanamine is sourced from PubChem (CID 47075694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).