3-fluoro-4-(6-methyl-1,7-dihydropyrazolo[5,4-c]pyridin-4-yl)aniline

C13H13FN4 — CID 169090142

IUPAC3-fluoro-4-(6-methyl-1,7-dihydropyrazolo[5,4-c]pyridin-4-yl)aniline
SMILESCN1C=C(c2ccc(N)cc2F)c2cn[nH]c2C1
InChIInChI=1S/C13H13FN4/c1-18-6-11(10-5-16-17-13(10)7-18)9-3-2-8(15)4-12(9)14/h2-6H,7,15H2,1H3,(H,16,17)
InChIKeyYGNLALAYKSMXKA-UHFFFAOYSA-N
MW244.27 g/mol
LogP1.97
Rot. Bonds1

About 3-fluoro-4-(6-methyl-1,7-dihydropyrazolo[5,4-c]pyridin-4-yl)aniline

3-fluoro-4-(6-methyl-1,7-dihydropyrazolo[5,4-c]pyridin-4-yl)aniline (PubChem CID 169090142) has the molecular formula C13H13FN4 and a molecular weight of 244.27 g/mol. Its IUPAC name is 3-fluoro-4-(6-methyl-1,7-dihydropyrazolo[5,4-c]pyridin-4-yl)aniline.

Molecular Properties

Compound Name3-fluoro-4-(6-methyl-1,7-dihydropyrazolo[5,4-c]pyridin-4-yl)aniline
PubChem CID169090142
Molecular FormulaC13H13FN4
Molecular Weight244.27 g/mol
Exact Mass244.11
IUPAC Name3-fluoro-4-(6-methyl-1,7-dihydropyrazolo[5,4-c]pyridin-4-yl)aniline
SMILESCN1C=C(c2ccc(N)cc2F)c2cn[nH]c2C1
InChIInChI=1S/C13H13FN4/c1-18-6-11(10-5-16-17-13(10)7-18)9-3-2-8(15)4-12(9)14/h2-6H,7,15H2,1H3,(H,16,17)
InChIKeyYGNLALAYKSMXKA-UHFFFAOYSA-N
XLogP1.97
TPSA57.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.27
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-(6-methyl-1,7-dihydropyrazolo[5,4-c]pyridin-4-yl)aniline?
The IUPAC name of 3-fluoro-4-(6-methyl-1,7-dihydropyrazolo[5,4-c]pyridin-4-yl)aniline (CID 169090142) is 3-fluoro-4-(6-methyl-1,7-dihydropyrazolo[5,4-c]pyridin-4-yl)aniline.
What is the SMILES notation for 3-fluoro-4-(6-methyl-1,7-dihydropyrazolo[5,4-c]pyridin-4-yl)aniline?
The canonical SMILES for 3-fluoro-4-(6-methyl-1,7-dihydropyrazolo[5,4-c]pyridin-4-yl)aniline is CN1C=C(c2ccc(N)cc2F)c2cn[nH]c2C1.
What is the InChIKey of 3-fluoro-4-(6-methyl-1,7-dihydropyrazolo[5,4-c]pyridin-4-yl)aniline?
The InChIKey is YGNLALAYKSMXKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN4/c1-18-6-11(10-5-16-17-13(10)7-18)9-3-2-8(15)4-12(9)14/h2-6H,7,15H2,1H3,(H,16,17).
What are the key properties of 3-fluoro-4-(6-methyl-1,7-dihydropyrazolo[5,4-c]pyridin-4-yl)aniline?
3-fluoro-4-(6-methyl-1,7-dihydropyrazolo[5,4-c]pyridin-4-yl)aniline has a molecular weight of 244.27 g/mol, XLogP of 1.97, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-(6-methyl-1,7-dihydropyrazolo[5,4-c]pyridin-4-yl)aniline is sourced from PubChem (CID 169090142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).