6-(3-chloro-4-pyridinyl)-N-piperidin-4-yl-5-[5-(trifluoromethyl)-2-pyridinyl]pyrazin-2-amine

C20H18ClF3N6 — CID 69146872

IUPAC6-(3-chloro-4-pyridinyl)-N-piperidin-4-yl-5-[5-(trifluoromethyl)-2-pyridinyl]pyrazin-2-amine
SMILESFC(F)(F)c1ccc(-c2ncc(NC3CCNCC3)nc2-c2ccncc2Cl)nc1
InChIInChI=1S/C20H18ClF3N6/c21-15-10-26-8-5-14(15)18-19(16-2-1-12(9-27-16)20(22,23)24)28-11-17(30-18)29-13-3-6-25-7-4-13/h1-2,5,8-11,13,25H,3-4,6-7H2,(H,29,30)
InChIKeyKMKKFPNGKTZPSW-UHFFFAOYSA-N
MW434.85 g/mol
LogP4.44
Rot. Bonds4

About 6-(3-chloro-4-pyridinyl)-N-piperidin-4-yl-5-[5-(trifluoromethyl)-2-pyridinyl]pyrazin-2-amine

6-(3-chloro-4-pyridinyl)-N-piperidin-4-yl-5-[5-(trifluoromethyl)-2-pyridinyl]pyrazin-2-amine (PubChem CID 69146872) has the molecular formula C20H18ClF3N6 and a molecular weight of 434.85 g/mol. Its IUPAC name is 6-(3-chloro-4-pyridinyl)-N-piperidin-4-yl-5-[5-(trifluoromethyl)-2-pyridinyl]pyrazin-2-amine.

Molecular Properties

Compound Name6-(3-chloro-4-pyridinyl)-N-piperidin-4-yl-5-[5-(trifluoromethyl)-2-pyridinyl]pyrazin-2-amine
PubChem CID69146872
Molecular FormulaC20H18ClF3N6
Molecular Weight434.85 g/mol
Exact Mass434.12
IUPAC Name6-(3-chloro-4-pyridinyl)-N-piperidin-4-yl-5-[5-(trifluoromethyl)-2-pyridinyl]pyrazin-2-amine
SMILESFC(F)(F)c1ccc(-c2ncc(NC3CCNCC3)nc2-c2ccncc2Cl)nc1
InChIInChI=1S/C20H18ClF3N6/c21-15-10-26-8-5-14(15)18-19(16-2-1-12(9-27-16)20(22,23)24)28-11-17(30-18)29-13-3-6-25-7-4-13/h1-2,5,8-11,13,25H,3-4,6-7H2,(H,29,30)
InChIKeyKMKKFPNGKTZPSW-UHFFFAOYSA-N
XLogP4.44
TPSA75.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.85
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(3-chloro-4-pyridinyl)-N-piperidin-4-yl-5-[5-(trifluoromethyl)-2-pyridinyl]pyrazin-2-amine?
The IUPAC name of 6-(3-chloro-4-pyridinyl)-N-piperidin-4-yl-5-[5-(trifluoromethyl)-2-pyridinyl]pyrazin-2-amine (CID 69146872) is 6-(3-chloro-4-pyridinyl)-N-piperidin-4-yl-5-[5-(trifluoromethyl)-2-pyridinyl]pyrazin-2-amine.
What is the SMILES notation for 6-(3-chloro-4-pyridinyl)-N-piperidin-4-yl-5-[5-(trifluoromethyl)-2-pyridinyl]pyrazin-2-amine?
The canonical SMILES for 6-(3-chloro-4-pyridinyl)-N-piperidin-4-yl-5-[5-(trifluoromethyl)-2-pyridinyl]pyrazin-2-amine is FC(F)(F)c1ccc(-c2ncc(NC3CCNCC3)nc2-c2ccncc2Cl)nc1.
What is the InChIKey of 6-(3-chloro-4-pyridinyl)-N-piperidin-4-yl-5-[5-(trifluoromethyl)-2-pyridinyl]pyrazin-2-amine?
The InChIKey is KMKKFPNGKTZPSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClF3N6/c21-15-10-26-8-5-14(15)18-19(16-2-1-12(9-27-16)20(22,23)24)28-11-17(30-18)29-13-3-6-25-7-4-13/h1-2,5,8-11,13,25H,3-4,6-7H2,(H,29,30).
What are the key properties of 6-(3-chloro-4-pyridinyl)-N-piperidin-4-yl-5-[5-(trifluoromethyl)-2-pyridinyl]pyrazin-2-amine?
6-(3-chloro-4-pyridinyl)-N-piperidin-4-yl-5-[5-(trifluoromethyl)-2-pyridinyl]pyrazin-2-amine has a molecular weight of 434.85 g/mol, XLogP of 4.44, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chloro-4-pyridinyl)-N-piperidin-4-yl-5-[5-(trifluoromethyl)-2-pyridinyl]pyrazin-2-amine is sourced from PubChem (CID 69146872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).