2-amino-1-[4-[6-(3-chloro-4-pyridinyl)-5-(4-fluorophenyl)pyrazin-2-yl]piperazin-1-yl]butan-1-ol

C23H26ClFN6O — CID 143313538

IUPAC2-amino-1-[4-[6-(3-chloro-4-pyridinyl)-5-(4-fluorophenyl)pyrazin-2-yl]piperazin-1-yl]butan-1-ol
SMILESCCC(N)C(O)N1CCN(c2cnc(-c3ccc(F)cc3)c(-c3ccncc3Cl)n2)CC1
InChIInChI=1S/C23H26ClFN6O/c1-2-19(26)23(32)31-11-9-30(10-12-31)20-14-28-21(15-3-5-16(25)6-4-15)22(29-20)17-7-8-27-13-18(17)24/h3-8,13-14,19,23,32H,2,9-12,26H2,1H3
InChIKeyKUCYXLOAKNILMG-UHFFFAOYSA-N
MW456.95 g/mol
LogP3.18
Rot. Bonds6

About 2-amino-1-[4-[6-(3-chloro-4-pyridinyl)-5-(4-fluorophenyl)pyrazin-2-yl]piperazin-1-yl]butan-1-ol

2-amino-1-[4-[6-(3-chloro-4-pyridinyl)-5-(4-fluorophenyl)pyrazin-2-yl]piperazin-1-yl]butan-1-ol (PubChem CID 143313538) has the molecular formula C23H26ClFN6O and a molecular weight of 456.95 g/mol. Its IUPAC name is 2-amino-1-[4-[6-(3-chloro-4-pyridinyl)-5-(4-fluorophenyl)pyrazin-2-yl]piperazin-1-yl]butan-1-ol.

Molecular Properties

Compound Name2-amino-1-[4-[6-(3-chloro-4-pyridinyl)-5-(4-fluorophenyl)pyrazin-2-yl]piperazin-1-yl]butan-1-ol
PubChem CID143313538
Molecular FormulaC23H26ClFN6O
Molecular Weight456.95 g/mol
Exact Mass456.18
IUPAC Name2-amino-1-[4-[6-(3-chloro-4-pyridinyl)-5-(4-fluorophenyl)pyrazin-2-yl]piperazin-1-yl]butan-1-ol
SMILESCCC(N)C(O)N1CCN(c2cnc(-c3ccc(F)cc3)c(-c3ccncc3Cl)n2)CC1
InChIInChI=1S/C23H26ClFN6O/c1-2-19(26)23(32)31-11-9-30(10-12-31)20-14-28-21(15-3-5-16(25)6-4-15)22(29-20)17-7-8-27-13-18(17)24/h3-8,13-14,19,23,32H,2,9-12,26H2,1H3
InChIKeyKUCYXLOAKNILMG-UHFFFAOYSA-N
XLogP3.18
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.95
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[4-[6-(3-chloro-4-pyridinyl)-5-(4-fluorophenyl)pyrazin-2-yl]piperazin-1-yl]butan-1-ol?
The IUPAC name of 2-amino-1-[4-[6-(3-chloro-4-pyridinyl)-5-(4-fluorophenyl)pyrazin-2-yl]piperazin-1-yl]butan-1-ol (CID 143313538) is 2-amino-1-[4-[6-(3-chloro-4-pyridinyl)-5-(4-fluorophenyl)pyrazin-2-yl]piperazin-1-yl]butan-1-ol.
What is the SMILES notation for 2-amino-1-[4-[6-(3-chloro-4-pyridinyl)-5-(4-fluorophenyl)pyrazin-2-yl]piperazin-1-yl]butan-1-ol?
The canonical SMILES for 2-amino-1-[4-[6-(3-chloro-4-pyridinyl)-5-(4-fluorophenyl)pyrazin-2-yl]piperazin-1-yl]butan-1-ol is CCC(N)C(O)N1CCN(c2cnc(-c3ccc(F)cc3)c(-c3ccncc3Cl)n2)CC1.
What is the InChIKey of 2-amino-1-[4-[6-(3-chloro-4-pyridinyl)-5-(4-fluorophenyl)pyrazin-2-yl]piperazin-1-yl]butan-1-ol?
The InChIKey is KUCYXLOAKNILMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClFN6O/c1-2-19(26)23(32)31-11-9-30(10-12-31)20-14-28-21(15-3-5-16(25)6-4-15)22(29-20)17-7-8-27-13-18(17)24/h3-8,13-14,19,23,32H,2,9-12,26H2,1H3.
What are the key properties of 2-amino-1-[4-[6-(3-chloro-4-pyridinyl)-5-(4-fluorophenyl)pyrazin-2-yl]piperazin-1-yl]butan-1-ol?
2-amino-1-[4-[6-(3-chloro-4-pyridinyl)-5-(4-fluorophenyl)pyrazin-2-yl]piperazin-1-yl]butan-1-ol has a molecular weight of 456.95 g/mol, XLogP of 3.18, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[4-[6-(3-chloro-4-pyridinyl)-5-(4-fluorophenyl)pyrazin-2-yl]piperazin-1-yl]butan-1-ol is sourced from PubChem (CID 143313538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).