N-[[5-chloro-1-(4-fluorophenyl)pyrazolo[3,4-c]pyridin-7-yl]methyl]-2-methoxyethanamine

C16H16ClFN4O — CID 121418055

IUPACN-[[5-chloro-1-(4-fluorophenyl)pyrazolo[3,4-c]pyridin-7-yl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1nc(Cl)cc2cnn(-c3ccc(F)cc3)c12
InChIInChI=1S/C16H16ClFN4O/c1-23-7-6-19-10-14-16-11(8-15(17)21-14)9-20-22(16)13-4-2-12(18)3-5-13/h2-5,8-9,19H,6-7,10H2,1H3
InChIKeyFSLGZRPBYGWAFR-UHFFFAOYSA-N
MW334.78 g/mol
LogP2.95
Rot. Bonds6

About N-[[5-chloro-1-(4-fluorophenyl)pyrazolo[3,4-c]pyridin-7-yl]methyl]-2-methoxyethanamine

N-[[5-chloro-1-(4-fluorophenyl)pyrazolo[3,4-c]pyridin-7-yl]methyl]-2-methoxyethanamine (PubChem CID 121418055) has the molecular formula C16H16ClFN4O and a molecular weight of 334.78 g/mol. Its IUPAC name is N-[[5-chloro-1-(4-fluorophenyl)pyrazolo[3,4-c]pyridin-7-yl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[5-chloro-1-(4-fluorophenyl)pyrazolo[3,4-c]pyridin-7-yl]methyl]-2-methoxyethanamine
PubChem CID121418055
Molecular FormulaC16H16ClFN4O
Molecular Weight334.78 g/mol
Exact Mass334.10
IUPAC NameN-[[5-chloro-1-(4-fluorophenyl)pyrazolo[3,4-c]pyridin-7-yl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1nc(Cl)cc2cnn(-c3ccc(F)cc3)c12
InChIInChI=1S/C16H16ClFN4O/c1-23-7-6-19-10-14-16-11(8-15(17)21-14)9-20-22(16)13-4-2-12(18)3-5-13/h2-5,8-9,19H,6-7,10H2,1H3
InChIKeyFSLGZRPBYGWAFR-UHFFFAOYSA-N
XLogP2.95
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.78
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(5-Chloro-2-Fluorophenyl)pyridin-4-Yl]-2-[(Piperidin-4-Yl)methyl]-2h-Pyrazolo[4,3-B]pyridin-7-Amine
CID 54671256
2-[7-[[2-(5-Chloro-2-fluorophenyl)-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-2-yl]acetamide
CID 54670034
2-[7-[[2-(5-Chloro-2-fluorophenyl)-5-methyl-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-2-yl]acetamide
CID 54670129
2-[7-[[2-(5-Chloro-2-fluorophenyl)-5-methyl-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-1-yl]acetamide
CID 54670130
[3-(2,4-Dichloro-phenyl)-1,5-dimethyl-1H-pyrazolo[4,3-b]pyridin-7-yl]-(2-methoxy-ethyl)-methyl-amine
CID 9821153
[3-(2,4-Dichloro-phenyl)-1,5-dimethyl-1H-pyrazolo[4,3-b]pyridin-7-yl]-(2-methoxy-ethyl)-propyl-amine
CID 12086065
[3-(2,4-Dichloro-phenyl)-1,5-dimethyl-1H-pyrazolo[4,3-b]pyridin-7-yl]-isopropyl-(2-methoxy-ethyl)-amine
CID 44341805
[3-(2,4-Dichloro-phenyl)-1,5-dimethyl-1H-pyrazolo[4,3-b]pyridin-7-yl]-bis-(2-methoxy-ethyl)-amine
CID 44341814
[3-(2,4-Dichloro-phenyl)-1,5-dimethyl-1H-pyrazolo[4,3-b]pyridin-7-yl]-hexyl-(2-methoxy-ethyl)-amine
CID 44341815
[3-(2,4-Dichloro-phenyl)-1,5-dimethyl-1H-pyrazolo[4,3-b]pyridin-7-yl]-(2-methoxy-ethyl)-pentyl-amine
CID 44341816
[3-(2,4-Dichloro-phenyl)-1,5-dimethyl-1H-pyrazolo[4,3-b]pyridin-7-yl]-isobutyl-(2-methoxy-ethyl)-amine
CID 44341817
Butyl-[3-(2,4-dichloro-phenyl)-1,5-dimethyl-1H-pyrazolo[4,3-b]pyridin-7-yl]-(2-methoxy-ethyl)-amine
CID 44341818

Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-1-(4-fluorophenyl)pyrazolo[3,4-c]pyridin-7-yl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[5-chloro-1-(4-fluorophenyl)pyrazolo[3,4-c]pyridin-7-yl]methyl]-2-methoxyethanamine (CID 121418055) is N-[[5-chloro-1-(4-fluorophenyl)pyrazolo[3,4-c]pyridin-7-yl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[5-chloro-1-(4-fluorophenyl)pyrazolo[3,4-c]pyridin-7-yl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[5-chloro-1-(4-fluorophenyl)pyrazolo[3,4-c]pyridin-7-yl]methyl]-2-methoxyethanamine is COCCNCc1nc(Cl)cc2cnn(-c3ccc(F)cc3)c12.
What is the InChIKey of N-[[5-chloro-1-(4-fluorophenyl)pyrazolo[3,4-c]pyridin-7-yl]methyl]-2-methoxyethanamine?
The InChIKey is FSLGZRPBYGWAFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFN4O/c1-23-7-6-19-10-14-16-11(8-15(17)21-14)9-20-22(16)13-4-2-12(18)3-5-13/h2-5,8-9,19H,6-7,10H2,1H3.
What are the key properties of N-[[5-chloro-1-(4-fluorophenyl)pyrazolo[3,4-c]pyridin-7-yl]methyl]-2-methoxyethanamine?
N-[[5-chloro-1-(4-fluorophenyl)pyrazolo[3,4-c]pyridin-7-yl]methyl]-2-methoxyethanamine has a molecular weight of 334.78 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-chloro-1-(4-fluorophenyl)pyrazolo[3,4-c]pyridin-7-yl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 121418055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).