4-[1-(2,6-difluorophenyl)-5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]aniline

C19H18F2N4 — CID 110458909

IUPAC4-[1-(2,6-difluorophenyl)-5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]aniline
SMILESCN1CCc2c(c(-c3ccc(N)cc3)nn2-c2c(F)cccc2F)C1
InChIInChI=1S/C19H18F2N4/c1-24-10-9-17-14(11-24)18(12-5-7-13(22)8-6-12)23-25(17)19-15(20)3-2-4-16(19)21/h2-8H,9-11,22H2,1H3
InChIKeyKSKHTLHGTGUBAK-UHFFFAOYSA-N
MW340.38 g/mol
LogP3.39
Rot. Bonds2

About 4-[1-(2,6-difluorophenyl)-5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]aniline

4-[1-(2,6-difluorophenyl)-5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]aniline (PubChem CID 110458909) has the molecular formula C19H18F2N4 and a molecular weight of 340.38 g/mol. Its IUPAC name is 4-[1-(2,6-difluorophenyl)-5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]aniline.

Molecular Properties

Compound Name4-[1-(2,6-difluorophenyl)-5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]aniline
PubChem CID110458909
Molecular FormulaC19H18F2N4
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC Name4-[1-(2,6-difluorophenyl)-5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]aniline
SMILESCN1CCc2c(c(-c3ccc(N)cc3)nn2-c2c(F)cccc2F)C1
InChIInChI=1S/C19H18F2N4/c1-24-10-9-17-14(11-24)18(12-5-7-13(22)8-6-12)23-25(17)19-15(20)3-2-4-16(19)21/h2-8H,9-11,22H2,1H3
InChIKeyKSKHTLHGTGUBAK-UHFFFAOYSA-N
XLogP3.39
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[1-(2,6-difluorophenyl)-5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2,6-difluorophenyl)-5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]aniline?
The IUPAC name of 4-[1-(2,6-difluorophenyl)-5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]aniline (CID 110458909) is 4-[1-(2,6-difluorophenyl)-5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]aniline.
What is the SMILES notation for 4-[1-(2,6-difluorophenyl)-5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]aniline?
The canonical SMILES for 4-[1-(2,6-difluorophenyl)-5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]aniline is CN1CCc2c(c(-c3ccc(N)cc3)nn2-c2c(F)cccc2F)C1.
What is the InChIKey of 4-[1-(2,6-difluorophenyl)-5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]aniline?
The InChIKey is KSKHTLHGTGUBAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2N4/c1-24-10-9-17-14(11-24)18(12-5-7-13(22)8-6-12)23-25(17)19-15(20)3-2-4-16(19)21/h2-8H,9-11,22H2,1H3.
What are the key properties of 4-[1-(2,6-difluorophenyl)-5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]aniline?
4-[1-(2,6-difluorophenyl)-5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]aniline has a molecular weight of 340.38 g/mol, XLogP of 3.39, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2,6-difluorophenyl)-5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]aniline is sourced from PubChem (CID 110458909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).