3-[1-[[4-(4-aminopiperidin-1-yl)-3-pyridinyl]amino]ethenyl]-5-(2-fluorophenyl)pyrazin-2-amine

C22H24FN7 — CID 139333437

IUPAC3-[1-[[4-(4-aminopiperidin-1-yl)-3-pyridinyl]amino]ethenyl]-5-(2-fluorophenyl)pyrazin-2-amine
SMILESC=C(Nc1cnccc1N1CCC(N)CC1)c1nc(-c2ccccc2F)cnc1N
InChIInChI=1S/C22H24FN7/c1-14(21-22(25)27-13-18(29-21)16-4-2-3-5-17(16)23)28-19-12-26-9-6-20(19)30-10-7-15(24)8-11-30/h2-6,9,12-13,15,28H,1,7-8,10-11,24H2,(H2,25,27)
InChIKeyNPBLTBBDCCGVPM-UHFFFAOYSA-N
MW405.48 g/mol
LogP3.27
Rot. Bonds5

About 3-[1-[[4-(4-aminopiperidin-1-yl)-3-pyridinyl]amino]ethenyl]-5-(2-fluorophenyl)pyrazin-2-amine

3-[1-[[4-(4-aminopiperidin-1-yl)-3-pyridinyl]amino]ethenyl]-5-(2-fluorophenyl)pyrazin-2-amine (PubChem CID 139333437) has the molecular formula C22H24FN7 and a molecular weight of 405.48 g/mol. Its IUPAC name is 3-[1-[[4-(4-aminopiperidin-1-yl)-3-pyridinyl]amino]ethenyl]-5-(2-fluorophenyl)pyrazin-2-amine.

Molecular Properties

Compound Name3-[1-[[4-(4-aminopiperidin-1-yl)-3-pyridinyl]amino]ethenyl]-5-(2-fluorophenyl)pyrazin-2-amine
PubChem CID139333437
Molecular FormulaC22H24FN7
Molecular Weight405.48 g/mol
Exact Mass405.21
IUPAC Name3-[1-[[4-(4-aminopiperidin-1-yl)-3-pyridinyl]amino]ethenyl]-5-(2-fluorophenyl)pyrazin-2-amine
SMILESC=C(Nc1cnccc1N1CCC(N)CC1)c1nc(-c2ccccc2F)cnc1N
InChIInChI=1S/C22H24FN7/c1-14(21-22(25)27-13-18(29-21)16-4-2-3-5-17(16)23)28-19-12-26-9-6-20(19)30-10-7-15(24)8-11-30/h2-6,9,12-13,15,28H,1,7-8,10-11,24H2,(H2,25,27)
InChIKeyNPBLTBBDCCGVPM-UHFFFAOYSA-N
XLogP3.27
TPSA105.98 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 53.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[[4-(4-aminopiperidin-1-yl)-3-pyridinyl]amino]ethenyl]-5-(2-fluorophenyl)pyrazin-2-amine?
The IUPAC name of 3-[1-[[4-(4-aminopiperidin-1-yl)-3-pyridinyl]amino]ethenyl]-5-(2-fluorophenyl)pyrazin-2-amine (CID 139333437) is 3-[1-[[4-(4-aminopiperidin-1-yl)-3-pyridinyl]amino]ethenyl]-5-(2-fluorophenyl)pyrazin-2-amine.
What is the SMILES notation for 3-[1-[[4-(4-aminopiperidin-1-yl)-3-pyridinyl]amino]ethenyl]-5-(2-fluorophenyl)pyrazin-2-amine?
The canonical SMILES for 3-[1-[[4-(4-aminopiperidin-1-yl)-3-pyridinyl]amino]ethenyl]-5-(2-fluorophenyl)pyrazin-2-amine is C=C(Nc1cnccc1N1CCC(N)CC1)c1nc(-c2ccccc2F)cnc1N.
What is the InChIKey of 3-[1-[[4-(4-aminopiperidin-1-yl)-3-pyridinyl]amino]ethenyl]-5-(2-fluorophenyl)pyrazin-2-amine?
The InChIKey is NPBLTBBDCCGVPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN7/c1-14(21-22(25)27-13-18(29-21)16-4-2-3-5-17(16)23)28-19-12-26-9-6-20(19)30-10-7-15(24)8-11-30/h2-6,9,12-13,15,28H,1,7-8,10-11,24H2,(H2,25,27).
What are the key properties of 3-[1-[[4-(4-aminopiperidin-1-yl)-3-pyridinyl]amino]ethenyl]-5-(2-fluorophenyl)pyrazin-2-amine?
3-[1-[[4-(4-aminopiperidin-1-yl)-3-pyridinyl]amino]ethenyl]-5-(2-fluorophenyl)pyrazin-2-amine has a molecular weight of 405.48 g/mol, XLogP of 3.27, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[[4-(4-aminopiperidin-1-yl)-3-pyridinyl]amino]ethenyl]-5-(2-fluorophenyl)pyrazin-2-amine is sourced from PubChem (CID 139333437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).