1-[6-[3-(2-fluorophenyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyrazin-2-yl]piperidin-4-amine

C21H20FN7 — CID 71254288

IUPAC1-[6-[3-(2-fluorophenyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyrazin-2-yl]piperidin-4-amine
SMILESNC1CCN(c2cncc(-c3cc4c(-c5ccccc5F)n[nH]c4cn3)n2)CC1
InChIInChI=1S/C21H20FN7/c22-16-4-2-1-3-14(16)21-15-9-17(25-11-18(15)27-28-21)19-10-24-12-20(26-19)29-7-5-13(23)6-8-29/h1-4,9-13H,5-8,23H2,(H,27,28)
InChIKeyGZNLJOZSXCJLOV-UHFFFAOYSA-N
MW389.44 g/mol
LogP3.15
Rot. Bonds3

About 1-[6-[3-(2-fluorophenyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyrazin-2-yl]piperidin-4-amine

1-[6-[3-(2-fluorophenyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyrazin-2-yl]piperidin-4-amine (PubChem CID 71254288) has the molecular formula C21H20FN7 and a molecular weight of 389.44 g/mol. Its IUPAC name is 1-[6-[3-(2-fluorophenyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyrazin-2-yl]piperidin-4-amine.

Molecular Properties

Compound Name1-[6-[3-(2-fluorophenyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyrazin-2-yl]piperidin-4-amine
PubChem CID71254288
Molecular FormulaC21H20FN7
Molecular Weight389.44 g/mol
Exact Mass389.18
IUPAC Name1-[6-[3-(2-fluorophenyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyrazin-2-yl]piperidin-4-amine
SMILESNC1CCN(c2cncc(-c3cc4c(-c5ccccc5F)n[nH]c4cn3)n2)CC1
InChIInChI=1S/C21H20FN7/c22-16-4-2-1-3-14(16)21-15-9-17(25-11-18(15)27-28-21)19-10-24-12-20(26-19)29-7-5-13(23)6-8-29/h1-4,9-13H,5-8,23H2,(H,27,28)
InChIKeyGZNLJOZSXCJLOV-UHFFFAOYSA-N
XLogP3.15
TPSA96.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.44
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[6-[3-(2-fluorophenyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyrazin-2-yl]piperidin-4-amine?
The IUPAC name of 1-[6-[3-(2-fluorophenyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyrazin-2-yl]piperidin-4-amine (CID 71254288) is 1-[6-[3-(2-fluorophenyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyrazin-2-yl]piperidin-4-amine.
What is the SMILES notation for 1-[6-[3-(2-fluorophenyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyrazin-2-yl]piperidin-4-amine?
The canonical SMILES for 1-[6-[3-(2-fluorophenyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyrazin-2-yl]piperidin-4-amine is NC1CCN(c2cncc(-c3cc4c(-c5ccccc5F)n[nH]c4cn3)n2)CC1.
What is the InChIKey of 1-[6-[3-(2-fluorophenyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyrazin-2-yl]piperidin-4-amine?
The InChIKey is GZNLJOZSXCJLOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN7/c22-16-4-2-1-3-14(16)21-15-9-17(25-11-18(15)27-28-21)19-10-24-12-20(26-19)29-7-5-13(23)6-8-29/h1-4,9-13H,5-8,23H2,(H,27,28).
What are the key properties of 1-[6-[3-(2-fluorophenyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyrazin-2-yl]piperidin-4-amine?
1-[6-[3-(2-fluorophenyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyrazin-2-yl]piperidin-4-amine has a molecular weight of 389.44 g/mol, XLogP of 3.15, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[3-(2-fluorophenyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyrazin-2-yl]piperidin-4-amine is sourced from PubChem (CID 71254288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).