4-[2-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl]-N-phenylpyridin-2-amine

C23H20FN5 — CID 170328030

IUPAC4-[2-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl]-N-phenylpyridin-2-amine
SMILESFc1ccc(-c2nn3c(c2-c2ccnc(Nc4ccccc4)c2)CNCC3)cc1
InChIInChI=1S/C23H20FN5/c24-18-8-6-16(7-9-18)23-22(20-15-25-12-13-29(20)28-23)17-10-11-26-21(14-17)27-19-4-2-1-3-5-19/h1-11,14,25H,12-13,15H2,(H,26,27)
InChIKeyLBBQWDJZCBKIOS-UHFFFAOYSA-N
MW385.45 g/mol
LogP4.60
Rot. Bonds4

About 4-[2-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl]-N-phenylpyridin-2-amine

4-[2-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl]-N-phenylpyridin-2-amine (PubChem CID 170328030) has the molecular formula C23H20FN5 and a molecular weight of 385.45 g/mol. Its IUPAC name is 4-[2-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl]-N-phenylpyridin-2-amine.

Molecular Properties

Compound Name4-[2-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl]-N-phenylpyridin-2-amine
PubChem CID170328030
Molecular FormulaC23H20FN5
Molecular Weight385.45 g/mol
Exact Mass385.17
IUPAC Name4-[2-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl]-N-phenylpyridin-2-amine
SMILESFc1ccc(-c2nn3c(c2-c2ccnc(Nc4ccccc4)c2)CNCC3)cc1
InChIInChI=1S/C23H20FN5/c24-18-8-6-16(7-9-18)23-22(20-15-25-12-13-29(20)28-23)17-10-11-26-21(14-17)27-19-4-2-1-3-5-19/h1-11,14,25H,12-13,15H2,(H,26,27)
InChIKeyLBBQWDJZCBKIOS-UHFFFAOYSA-N
XLogP4.60
TPSA54.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl]-N-phenylpyridin-2-amine?
The IUPAC name of 4-[2-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl]-N-phenylpyridin-2-amine (CID 170328030) is 4-[2-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl]-N-phenylpyridin-2-amine.
What is the SMILES notation for 4-[2-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl]-N-phenylpyridin-2-amine?
The canonical SMILES for 4-[2-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl]-N-phenylpyridin-2-amine is Fc1ccc(-c2nn3c(c2-c2ccnc(Nc4ccccc4)c2)CNCC3)cc1.
What is the InChIKey of 4-[2-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl]-N-phenylpyridin-2-amine?
The InChIKey is LBBQWDJZCBKIOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN5/c24-18-8-6-16(7-9-18)23-22(20-15-25-12-13-29(20)28-23)17-10-11-26-21(14-17)27-19-4-2-1-3-5-19/h1-11,14,25H,12-13,15H2,(H,26,27).
What are the key properties of 4-[2-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl]-N-phenylpyridin-2-amine?
4-[2-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl]-N-phenylpyridin-2-amine has a molecular weight of 385.45 g/mol, XLogP of 4.60, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl]-N-phenylpyridin-2-amine is sourced from PubChem (CID 170328030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).