N-[4-(2-fluorophenyl)phenyl]-1,5-dimethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-amine

C20H21FN4 — CID 139399109

IUPACN-[4-(2-fluorophenyl)phenyl]-1,5-dimethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-amine
SMILESCN1CCc2c(c(Nc3ccc(-c4ccccc4F)cc3)nn2C)C1
InChIInChI=1S/C20H21FN4/c1-24-12-11-19-17(13-24)20(23-25(19)2)22-15-9-7-14(8-10-15)16-5-3-4-6-18(16)21/h3-10H,11-13H2,1-2H3,(H,22,23)
InChIKeyTYAJBRVQLRIPDL-UHFFFAOYSA-N
MW336.41 g/mol
LogP3.96
Rot. Bonds3

About N-[4-(2-fluorophenyl)phenyl]-1,5-dimethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-amine

N-[4-(2-fluorophenyl)phenyl]-1,5-dimethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-amine (PubChem CID 139399109) has the molecular formula C20H21FN4 and a molecular weight of 336.41 g/mol. Its IUPAC name is N-[4-(2-fluorophenyl)phenyl]-1,5-dimethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-amine.

Molecular Properties

Compound NameN-[4-(2-fluorophenyl)phenyl]-1,5-dimethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-amine
PubChem CID139399109
Molecular FormulaC20H21FN4
Molecular Weight336.41 g/mol
Exact Mass336.18
IUPAC NameN-[4-(2-fluorophenyl)phenyl]-1,5-dimethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-amine
SMILESCN1CCc2c(c(Nc3ccc(-c4ccccc4F)cc3)nn2C)C1
InChIInChI=1S/C20H21FN4/c1-24-12-11-19-17(13-24)20(23-25(19)2)22-15-9-7-14(8-10-15)16-5-3-4-6-18(16)21/h3-10H,11-13H2,1-2H3,(H,22,23)
InChIKeyTYAJBRVQLRIPDL-UHFFFAOYSA-N
XLogP3.96
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-fluorophenyl)phenyl]-1,5-dimethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-amine?
The IUPAC name of N-[4-(2-fluorophenyl)phenyl]-1,5-dimethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-amine (CID 139399109) is N-[4-(2-fluorophenyl)phenyl]-1,5-dimethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-amine.
What is the SMILES notation for N-[4-(2-fluorophenyl)phenyl]-1,5-dimethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-amine?
The canonical SMILES for N-[4-(2-fluorophenyl)phenyl]-1,5-dimethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-amine is CN1CCc2c(c(Nc3ccc(-c4ccccc4F)cc3)nn2C)C1.
What is the InChIKey of N-[4-(2-fluorophenyl)phenyl]-1,5-dimethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-amine?
The InChIKey is TYAJBRVQLRIPDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4/c1-24-12-11-19-17(13-24)20(23-25(19)2)22-15-9-7-14(8-10-15)16-5-3-4-6-18(16)21/h3-10H,11-13H2,1-2H3,(H,22,23).
What are the key properties of N-[4-(2-fluorophenyl)phenyl]-1,5-dimethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-amine?
N-[4-(2-fluorophenyl)phenyl]-1,5-dimethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-amine has a molecular weight of 336.41 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-fluorophenyl)phenyl]-1,5-dimethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-amine is sourced from PubChem (CID 139399109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).